REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1cii_1_A DATA FIRST_RESID 23 DATA SEQUENCE EIMAVDIYVN PPRVDVFHGT PPAWSSFGNK TIWGGNEWVD DSPTRSDIEK DATA SEQUENCE RDKEITAYKN TLSAQQKENE NKRTEAGKRL SAAIAAREKD ENTLKTLRAG DATA SEQUENCE NADAADITRQ EFRLLQAELR EYGFRTEIAG YDALRLHTES RMLFADADSL DATA SEQUENCE RISPREARSL IEQAEKRQKD AQNADKKAAD MLAEYERRKG ILDTRLSELE DATA SEQUENCE KNGGAALAVL DAQQARLLGQ QTRNDRAISE ARNKLSSVTE SLNTARNALT DATA SEQUENCE RAEQQLTQQK NTPDGKTIVS PEKFPGRSST NDSIVVSGDP RFAGTIKITT DATA SEQUENCE SAVIDNRANL NYLLSHSGLD YKRNILNDRN PVVTEDVEGD KKIYNAEVAE DATA SEQUENCE WDKLRQRLLD ARNKITSAES AVNSARNNLS ARTNEQKHAN DALNALLKEK DATA SEQUENCE ENIRNQLSGI NQKIAEEKRK QDELKATKDA INFTTEFLKS VSEKYGAKAE DATA SEQUENCE QLAREMAGQA KGKKIRNVEE ALKTYEKYRA DINKKINAKD RAAIAAALES DATA SEQUENCE VKLSDISSNL NRFSRGLGYA GKFTSLADWI TEFGKAVRTE NWRPLFVKTE DATA SEQUENCE TIIAGNAATA LVALVFSILT GSALGIIGYG LLMAVTGALI DESLVEKANK DATA SEQUENCE FW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 23 E HA 0.000 nan 4.350 nan 0.000 0.291 23 E C 0.000 176.645 176.600 0.076 0.000 1.382 23 E CA 0.000 56.431 56.400 0.052 0.000 0.976 23 E CB 0.000 29.734 29.700 0.056 0.000 0.812 24 I N 0.003 120.631 120.570 0.096 0.000 3.980 24 I HA -0.329 3.841 4.170 -0.000 0.000 0.136 24 I C 0.758 177.019 176.117 0.240 0.000 0.389 24 I CA 1.465 62.853 61.300 0.145 0.000 1.252 24 I CB -0.824 37.231 38.000 0.093 0.000 1.115 24 I HN 0.158 nan 8.210 nan 0.000 0.198 25 M N -0.640 119.083 119.600 0.204 0.000 2.753 25 M HA 0.617 5.097 4.480 -0.000 0.000 0.299 25 M C 1.272 177.685 176.300 0.189 0.000 1.219 25 M CA 0.459 55.919 55.300 0.267 0.000 0.900 25 M CB 1.513 34.266 32.600 0.256 0.000 1.628 25 M HN 0.081 nan 8.290 nan 0.000 0.502 26 A N 0.285 123.219 122.820 0.189 0.000 1.963 26 A HA 0.228 4.548 4.320 -0.000 0.000 0.207 26 A C 1.374 179.024 177.584 0.111 0.000 1.243 26 A CA 1.237 53.328 52.037 0.090 0.000 0.728 26 A CB -0.455 18.532 19.000 -0.022 0.000 0.895 26 A HN 1.308 nan 8.150 nan 0.000 0.467 27 V N -0.896 119.136 119.914 0.196 0.000 1.115 27 V HA -0.456 3.664 4.120 -0.000 0.000 0.037 27 V C 1.284 177.468 176.094 0.149 0.000 2.140 27 V CA 2.871 65.320 62.300 0.247 0.000 3.046 27 V CB -2.658 29.292 31.823 0.213 0.000 1.438 27 V HN 0.784 nan 8.190 nan 0.000 0.999 28 D N 1.314 121.752 120.400 0.064 0.000 2.149 28 D HA 0.013 4.653 4.640 -0.000 0.000 0.201 28 D C 1.142 177.433 176.300 -0.014 0.000 0.972 28 D CA 1.318 55.352 54.000 0.056 0.000 0.835 28 D CB -0.156 40.684 40.800 0.068 0.000 0.966 28 D HN 0.788 nan 8.370 nan 0.000 0.476 29 I N -0.825 119.634 120.570 -0.186 0.000 3.378 29 I HA -0.060 4.110 4.170 -0.000 0.000 0.284 29 I C 0.868 176.795 176.117 -0.317 0.000 1.157 29 I CA -0.591 60.488 61.300 -0.369 0.000 1.193 29 I CB 0.066 37.617 38.000 -0.748 0.000 1.461 29 I HN -0.053 nan 8.210 nan 0.000 0.674 30 Y N -0.852 119.520 120.300 0.120 0.000 3.299 30 Y HA -0.237 4.313 4.550 -0.000 0.000 0.448 30 Y C 0.260 176.222 175.900 0.103 0.000 1.224 30 Y CA 0.355 58.519 58.100 0.107 0.000 2.431 30 Y CB -1.951 36.568 38.460 0.098 0.000 0.866 30 Y HN 0.218 nan 8.280 nan 0.000 0.499 31 V N 2.691 122.734 119.914 0.214 0.000 2.513 31 V HA 0.370 4.490 4.120 -0.000 0.000 0.299 31 V C 0.273 176.432 176.094 0.108 0.000 1.035 31 V CA -0.950 61.453 62.300 0.173 0.000 0.889 31 V CB 1.709 33.647 31.823 0.192 0.000 0.988 31 V HN 0.481 nan 8.190 nan 0.000 0.440 32 N N 1.649 120.402 118.700 0.089 0.000 2.667 32 N HA -0.138 4.602 4.740 -0.000 0.000 0.263 32 N C -2.647 172.847 175.510 -0.026 0.000 1.038 32 N CA 0.075 53.150 53.050 0.042 0.000 0.749 32 N CB -1.268 37.255 38.487 0.061 0.000 0.892 32 N HN 0.475 nan 8.380 nan 0.000 0.546 33 P HA 0.311 nan 4.420 nan 0.000 0.276 33 P C -1.967 175.165 177.300 -0.279 0.000 1.252 33 P CA -1.041 61.959 63.100 -0.167 0.000 0.802 33 P CB 0.247 31.914 31.700 -0.055 0.000 1.035 34 P HA -0.030 nan 4.420 nan 0.000 0.266 34 P C 0.205 177.362 177.300 -0.238 0.000 1.186 34 P CA 0.391 63.259 63.100 -0.386 0.000 0.767 34 P CB 1.306 32.692 31.700 -0.524 0.000 0.820 35 R N 1.283 121.695 120.500 -0.147 0.000 2.107 35 R HA 0.184 4.524 4.340 -0.000 0.000 0.195 35 R C -0.264 175.982 176.300 -0.090 0.000 1.214 35 R CA 0.261 56.304 56.100 -0.095 0.000 1.129 35 R CB 0.116 30.382 30.300 -0.056 0.000 1.045 35 R HN 0.250 nan 8.270 nan 0.000 0.489 36 V N 3.592 123.445 119.914 -0.102 0.000 4.700 36 V HA -0.174 3.946 4.120 -0.000 0.000 0.388 36 V C -1.836 174.205 176.094 -0.089 0.000 0.654 36 V CA 0.759 62.991 62.300 -0.112 0.000 1.587 36 V CB -1.175 30.596 31.823 -0.086 0.000 1.932 36 V HN 0.466 nan 8.190 nan 0.000 0.480 37 D N 2.242 122.583 120.400 -0.098 0.000 2.198 37 D HA 0.578 5.218 4.640 -0.000 0.000 0.245 37 D C 0.372 176.629 176.300 -0.071 0.000 1.079 37 D CA 0.008 53.973 54.000 -0.058 0.000 0.854 37 D CB 1.874 42.673 40.800 -0.002 0.000 1.148 37 D HN 0.743 nan 8.370 nan 0.000 0.456 38 V N 0.382 120.238 119.914 -0.098 0.000 2.881 38 V HA 0.299 4.419 4.120 -0.000 0.000 0.303 38 V C 0.361 176.346 176.094 -0.181 0.000 1.070 38 V CA -0.921 61.317 62.300 -0.103 0.000 1.074 38 V CB 0.422 32.182 31.823 -0.105 0.000 1.012 38 V HN 0.404 nan 8.190 nan 0.000 0.482 39 F N 3.869 123.665 119.950 -0.257 0.000 2.571 39 F HA 0.237 4.764 4.527 -0.000 0.000 0.390 39 F C 0.641 176.268 175.800 -0.288 0.000 1.043 39 F CA 0.227 58.088 58.000 -0.232 0.000 1.164 39 F CB -0.528 38.304 39.000 -0.279 0.000 1.049 39 F HN 0.690 nan 8.300 nan 0.000 0.552 40 H N 5.065 123.771 119.070 -0.606 0.000 2.800 40 H HA 0.318 4.874 4.556 -0.000 0.000 0.291 40 H C 0.863 175.770 175.328 -0.702 0.000 1.076 40 H CA 0.278 56.052 56.048 -0.456 0.000 1.452 40 H CB 0.988 30.563 29.762 -0.311 0.000 1.461 40 H HN 0.769 nan 8.280 nan 0.000 0.488 41 G N 1.156 109.814 108.800 -0.238 0.000 2.593 41 G HA2 0.243 4.203 3.960 -0.000 0.000 0.212 41 G HA3 0.243 4.203 3.960 -0.000 0.000 0.212 41 G C -0.451 174.465 174.900 0.027 0.000 1.934 41 G CA 0.106 45.184 45.100 -0.036 0.000 0.861 41 G HN 0.640 nan 8.290 nan 0.000 0.629 42 T N 1.607 116.187 114.554 0.043 0.000 3.084 42 T HA -0.070 4.280 4.350 -0.000 0.000 0.447 42 T C -2.642 172.041 174.700 -0.029 0.000 0.778 42 T CA -0.252 61.846 62.100 -0.004 0.000 2.363 42 T CB -1.236 67.620 68.868 -0.019 0.000 1.717 42 T HN 0.438 nan 8.240 nan 0.000 0.690 43 P HA 0.308 nan 4.420 nan 0.000 0.266 43 P C -2.263 174.849 177.300 -0.314 0.000 1.193 43 P CA -0.780 62.235 63.100 -0.142 0.000 0.770 43 P CB 0.129 31.746 31.700 -0.139 0.000 0.836 44 P HA 0.328 nan 4.420 nan 0.000 0.284 44 P C -1.054 175.711 177.300 -0.892 0.000 1.253 44 P CA -0.291 62.238 63.100 -0.952 0.000 0.800 44 P CB 0.803 31.437 31.700 -1.777 0.000 0.961 45 A N 3.270 125.667 122.820 -0.705 0.000 2.786 45 A HA 0.321 4.641 4.320 -0.000 0.000 0.346 45 A C -0.715 176.648 177.584 -0.368 0.000 1.265 45 A CA -0.726 51.046 52.037 -0.442 0.000 0.858 45 A CB -0.701 18.156 19.000 -0.238 0.000 1.118 45 A HN 0.529 nan 8.150 nan 0.000 0.482 46 W N 1.302 122.565 121.300 -0.062 0.000 2.484 46 W HA 0.016 4.676 4.660 -0.000 0.000 0.337 46 W C 1.175 177.680 176.519 -0.024 0.000 1.214 46 W CA 0.436 57.759 57.345 -0.037 0.000 1.296 46 W CB 0.295 29.741 29.460 -0.023 0.000 1.174 46 W HN 0.573 nan 8.180 nan 0.000 0.564 47 S N 1.335 117.177 115.700 0.236 0.000 2.478 47 S HA -0.029 4.441 4.470 -0.000 0.000 0.222 47 S C 0.788 175.478 174.600 0.150 0.000 1.008 47 S CA 0.018 58.300 58.200 0.137 0.000 0.928 47 S CB -0.011 63.250 63.200 0.101 0.000 0.781 47 S HN 0.403 nan 8.310 nan 0.000 0.518 48 S N 1.683 117.501 115.700 0.197 0.000 2.593 48 S HA 0.270 4.740 4.470 -0.000 0.000 0.269 48 S C 0.019 174.754 174.600 0.225 0.000 1.334 48 S CA -0.516 57.787 58.200 0.171 0.000 1.015 48 S CB -0.055 63.222 63.200 0.129 0.000 0.912 48 S HN 0.373 nan 8.310 nan 0.000 0.541 49 F N 2.029 121.986 119.950 0.011 0.000 2.741 49 F HA -0.264 4.263 4.527 -0.000 0.000 0.204 49 F C 1.279 177.078 175.800 -0.002 0.000 1.051 49 F CA 0.967 58.962 58.000 -0.008 0.000 0.819 49 F CB -1.708 37.271 39.000 -0.034 0.000 0.657 49 F HN 0.998 nan 8.300 nan 0.000 0.842 50 G N 2.008 110.811 108.800 0.006 0.000 2.296 50 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.282 50 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.282 50 G C 0.561 175.393 174.900 -0.112 0.000 1.014 50 G CA 0.916 45.956 45.100 -0.100 0.000 0.812 50 G HN 1.785 nan 8.290 nan 0.000 0.508 51 N N -1.288 117.414 118.700 0.004 0.000 2.705 51 N HA -0.180 4.560 4.740 -0.000 0.000 0.255 51 N C 1.243 176.700 175.510 -0.088 0.000 1.008 51 N CA 1.901 54.998 53.050 0.080 0.000 0.742 51 N CB -0.897 37.617 38.487 0.046 0.000 0.906 51 N HN 0.813 nan 8.380 nan 0.000 0.541 52 K N -0.635 119.623 120.400 -0.236 0.000 2.276 52 K HA 0.037 4.357 4.320 -0.000 0.000 0.198 52 K C 0.183 176.523 176.600 -0.432 0.000 1.052 52 K CA 0.906 56.955 56.287 -0.397 0.000 0.984 52 K CB 0.126 32.205 32.500 -0.702 0.000 0.836 52 K HN 0.720 nan 8.250 nan 0.000 0.490 53 T N -0.841 113.515 114.554 -0.329 0.000 0.542 53 T HA -0.203 4.147 4.350 -0.000 0.000 0.774 53 T C 0.522 174.972 174.700 -0.418 0.000 0.992 53 T CA 0.162 61.986 62.100 -0.460 0.000 4.076 53 T CB -1.073 67.090 68.868 -1.176 0.000 2.303 53 T HN 0.224 nan 8.240 nan 0.000 0.398 54 I N 2.618 123.076 120.570 -0.187 0.000 2.830 54 I HA 0.001 4.171 4.170 -0.000 0.000 0.263 54 I C 2.199 178.296 176.117 -0.033 0.000 1.230 54 I CA 1.245 62.508 61.300 -0.061 0.000 1.480 54 I CB -0.203 37.815 38.000 0.031 0.000 1.095 54 I HN 0.861 nan 8.210 nan 0.000 0.455 55 W N 1.099 122.415 121.300 0.027 0.000 2.905 55 W HA 0.254 4.913 4.660 -0.000 0.000 0.251 55 W C 0.796 177.323 176.519 0.013 0.000 1.305 55 W CA 0.121 57.479 57.345 0.020 0.000 1.465 55 W CB -1.544 27.939 29.460 0.038 0.000 1.122 55 W HN -0.012 nan 8.180 nan 0.000 0.659 56 G N 1.651 110.213 108.800 -0.396 0.000 2.544 56 G HA2 0.311 4.271 3.960 -0.000 0.000 0.242 56 G HA3 0.311 4.271 3.960 -0.000 0.000 0.242 56 G C 0.527 175.365 174.900 -0.102 0.000 1.247 56 G CA -0.089 44.814 45.100 -0.329 0.000 0.840 56 G HN 0.220 nan 8.290 nan 0.000 0.578 57 G N -0.184 108.590 108.800 -0.044 0.000 2.138 57 G HA2 0.160 4.120 3.960 -0.000 0.000 0.244 57 G HA3 0.160 4.120 3.960 -0.000 0.000 0.244 57 G C 0.572 175.445 174.900 -0.044 0.000 1.166 57 G CA 0.253 45.344 45.100 -0.014 0.000 0.902 57 G HN 0.708 nan 8.290 nan 0.000 0.460 58 N N 0.442 119.105 118.700 -0.062 0.000 1.893 58 N HA -0.069 4.671 4.740 -0.000 0.000 0.232 58 N C 1.552 176.970 175.510 -0.154 0.000 1.392 58 N CA 0.231 53.238 53.050 -0.072 0.000 0.801 58 N CB -0.012 38.440 38.487 -0.058 0.000 1.084 58 N HN 0.508 nan 8.380 nan 0.000 0.479 59 E N -0.100 119.920 120.200 -0.300 0.000 2.257 59 E HA -0.234 4.116 4.350 -0.000 0.000 0.229 59 E C -0.102 175.992 176.600 -0.842 0.000 1.089 59 E CA 2.122 58.087 56.400 -0.724 0.000 0.947 59 E CB -0.229 28.811 29.700 -1.101 0.000 0.808 59 E HN 0.553 nan 8.360 nan 0.000 0.471 60 W N -0.202 121.107 121.300 0.016 0.000 2.926 60 W HA 0.259 4.919 4.660 -0.000 0.000 0.419 60 W C 0.215 176.741 176.519 0.012 0.000 0.993 60 W CA -0.465 56.888 57.345 0.013 0.000 2.025 60 W CB 0.285 29.752 29.460 0.011 0.000 1.152 60 W HN -0.204 nan 8.180 nan 0.000 0.659 61 V N -1.065 118.914 119.914 0.108 0.000 3.528 61 V HA 0.420 4.540 4.120 -0.000 0.000 0.301 61 V C 0.233 176.353 176.094 0.045 0.000 1.332 61 V CA -0.542 61.808 62.300 0.083 0.000 1.004 61 V CB 1.976 33.838 31.823 0.065 0.000 1.222 61 V HN -0.139 nan 8.190 nan 0.000 0.478 62 D N -1.369 119.057 120.400 0.043 0.000 2.460 62 D HA 0.055 4.695 4.640 -0.000 0.000 0.263 62 D C -0.006 176.326 176.300 0.052 0.000 1.209 62 D CA -0.026 53.996 54.000 0.036 0.000 0.818 62 D CB 0.530 41.350 40.800 0.034 0.000 1.239 62 D HN 0.652 nan 8.370 nan 0.000 0.530 63 D N 1.951 122.396 120.400 0.075 0.000 6.521 63 D HA -0.109 4.531 4.640 -0.000 0.000 0.249 63 D C -0.477 175.956 176.300 0.222 0.000 1.546 63 D CA 0.719 54.808 54.000 0.148 0.000 1.189 63 D CB -0.314 40.552 40.800 0.109 0.000 1.515 63 D HN -0.083 nan 8.370 nan 0.000 0.872 64 S N 3.059 118.824 115.700 0.109 0.000 2.525 64 S HA 0.379 4.849 4.470 -0.000 0.000 0.278 64 S C -2.096 172.356 174.600 -0.246 0.000 1.234 64 S CA -1.143 57.053 58.200 -0.008 0.000 1.058 64 S CB 1.702 64.878 63.200 -0.040 0.000 0.983 64 S HN 0.323 nan 8.310 nan 0.000 0.495 65 P HA 0.151 nan 4.420 nan 0.000 0.282 65 P C 0.116 177.143 177.300 -0.455 0.000 1.274 65 P CA -0.354 62.214 63.100 -0.887 0.000 0.770 65 P CB 0.371 31.694 31.700 -0.629 0.000 0.867 66 T N 1.340 115.643 114.554 -0.419 0.000 2.726 66 T HA 0.157 4.507 4.350 -0.000 0.000 0.294 66 T C 1.595 176.185 174.700 -0.184 0.000 1.013 66 T CA -0.500 61.466 62.100 -0.224 0.000 0.996 66 T CB 0.790 69.560 68.868 -0.165 0.000 1.016 66 T HN 0.237 nan 8.240 nan 0.000 0.529 67 R N 0.610 121.039 120.500 -0.119 0.000 2.073 67 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 67 R C 3.011 179.260 176.300 -0.085 0.000 1.134 67 R CA 1.849 57.894 56.100 -0.091 0.000 0.952 67 R CB -1.248 29.014 30.300 -0.063 0.000 0.850 67 R HN 0.913 nan 8.270 nan 0.000 0.433 68 S N 1.073 116.728 115.700 -0.076 0.000 2.382 68 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 68 S C 1.540 176.100 174.600 -0.067 0.000 1.027 68 S CA 1.279 59.445 58.200 -0.056 0.000 0.991 68 S CB -0.270 62.906 63.200 -0.039 0.000 0.823 68 S HN 0.139 nan 8.310 nan 0.000 0.469 69 D N 1.990 122.323 120.400 -0.113 0.000 2.116 69 D HA -0.074 4.566 4.640 -0.000 0.000 0.193 69 D C 1.879 178.113 176.300 -0.110 0.000 0.998 69 D CA 1.450 55.369 54.000 -0.135 0.000 0.836 69 D CB -0.378 40.206 40.800 -0.360 0.000 0.951 69 D HN 0.497 nan 8.370 nan 0.000 0.449 70 I N 0.807 121.296 120.570 -0.135 0.000 2.110 70 I HA -0.211 3.959 4.170 -0.000 0.000 0.236 70 I C 2.320 178.394 176.117 -0.071 0.000 1.068 70 I CA 0.976 62.214 61.300 -0.104 0.000 1.333 70 I CB -0.532 37.405 38.000 -0.104 0.000 1.054 70 I HN -0.022 nan 8.210 nan 0.000 0.402 71 E N 1.113 121.278 120.200 -0.057 0.000 2.136 71 E HA -0.270 4.080 4.350 -0.000 0.000 0.202 71 E C 2.166 178.751 176.600 -0.026 0.000 1.019 71 E CA 1.398 57.776 56.400 -0.037 0.000 0.819 71 E CB -0.081 29.602 29.700 -0.028 0.000 0.739 71 E HN 0.376 nan 8.360 nan 0.000 0.458 72 K N 0.526 120.914 120.400 -0.021 0.000 1.985 72 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 72 K C 2.134 178.731 176.600 -0.006 0.000 1.047 72 K CA 1.048 57.337 56.287 0.004 0.000 0.932 72 K CB -0.568 31.944 32.500 0.020 0.000 0.716 72 K HN -0.043 nan 8.250 nan 0.000 0.439 73 R N 1.912 122.389 120.500 -0.037 0.000 2.133 73 R HA -0.176 4.164 4.340 -0.000 0.000 0.247 73 R C 1.546 177.743 176.300 -0.171 0.000 1.151 73 R CA 2.078 58.104 56.100 -0.123 0.000 0.971 73 R CB -0.771 29.438 30.300 -0.151 0.000 0.866 73 R HN 0.234 nan 8.270 nan 0.000 0.447 74 D N -0.407 119.931 120.400 -0.102 0.000 2.117 74 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 74 D C 1.690 177.972 176.300 -0.030 0.000 0.987 74 D CA 1.585 55.539 54.000 -0.076 0.000 0.829 74 D CB 0.043 40.815 40.800 -0.046 0.000 0.961 74 D HN 0.290 nan 8.370 nan 0.000 0.460 75 K N 0.495 120.895 120.400 0.000 0.000 2.009 75 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 75 K C 2.074 178.731 176.600 0.096 0.000 1.049 75 K CA 1.219 57.533 56.287 0.044 0.000 0.929 75 K CB -0.129 32.400 32.500 0.047 0.000 0.714 75 K HN 0.273 nan 8.250 nan 0.000 0.440 76 E N 0.842 121.113 120.200 0.118 0.000 2.023 76 E HA -0.207 4.142 4.350 -0.000 0.000 0.196 76 E C 2.151 178.984 176.600 0.388 0.000 1.003 76 E CA 1.302 57.880 56.400 0.297 0.000 0.809 76 E CB -0.249 29.711 29.700 0.434 0.000 0.755 76 E HN 0.277 nan 8.360 nan 0.000 0.449 77 I N 1.203 121.788 120.570 0.025 0.000 2.264 77 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 77 I C 2.452 178.712 176.117 0.238 0.000 1.111 77 I CA 1.189 62.527 61.300 0.064 0.000 1.382 77 I CB -0.452 37.401 38.000 -0.244 0.000 1.060 77 I HN 0.163 nan 8.210 nan 0.000 0.418 78 T N 0.748 115.383 114.554 0.135 0.000 2.674 78 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 78 T C 2.065 176.851 174.700 0.142 0.000 1.039 78 T CA 1.555 63.724 62.100 0.116 0.000 1.150 78 T CB -0.348 68.561 68.868 0.069 0.000 0.864 78 T HN 0.482 nan 8.240 nan 0.000 0.427 79 A N 0.444 123.363 122.820 0.166 0.000 1.933 79 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 79 A C 2.110 179.805 177.584 0.186 0.000 1.175 79 A CA 1.693 53.822 52.037 0.154 0.000 0.628 79 A CB -0.981 18.113 19.000 0.156 0.000 0.814 79 A HN 0.611 nan 8.150 nan 0.000 0.444 80 Y N 0.723 121.135 120.300 0.188 0.000 2.109 80 Y HA -0.174 4.376 4.550 -0.000 0.000 0.285 80 Y C 2.254 178.261 175.900 0.179 0.000 1.131 80 Y CA 2.151 60.374 58.100 0.205 0.000 1.121 80 Y CB -0.379 38.285 38.460 0.340 0.000 0.987 80 Y HN 0.224 nan 8.280 nan 0.000 0.495 81 K N 0.128 120.541 120.400 0.022 0.000 2.059 81 K HA -0.273 4.047 4.320 -0.000 0.000 0.212 81 K C 1.902 178.429 176.600 -0.120 0.000 1.050 81 K CA 1.672 57.914 56.287 -0.076 0.000 0.927 81 K CB -0.443 32.108 32.500 0.085 0.000 0.714 81 K HN 0.396 nan 8.250 nan 0.000 0.447 82 N N 0.417 119.095 118.700 -0.036 0.000 2.060 82 N HA -0.154 4.586 4.740 -0.000 0.000 0.195 82 N C 1.782 177.258 175.510 -0.057 0.000 1.028 82 N CA 1.852 54.888 53.050 -0.023 0.000 0.861 82 N CB -0.587 37.908 38.487 0.013 0.000 1.029 82 N HN 0.241 nan 8.380 nan 0.000 0.428 83 T N 2.242 116.733 114.554 -0.104 0.000 2.652 83 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 83 T C 2.132 176.765 174.700 -0.111 0.000 1.039 83 T CA 0.836 62.876 62.100 -0.101 0.000 1.153 83 T CB -0.340 68.463 68.868 -0.108 0.000 0.863 83 T HN 0.195 nan 8.240 nan 0.000 0.428 84 L N 0.900 121.990 121.223 -0.222 0.000 2.131 84 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 84 L C 2.909 179.771 176.870 -0.012 0.000 1.092 84 L CA 1.057 55.847 54.840 -0.084 0.000 0.759 84 L CB -0.753 41.238 42.059 -0.115 0.000 0.903 84 L HN 0.310 nan 8.230 nan 0.000 0.435 85 S N 0.019 115.698 115.700 -0.035 0.000 2.348 85 S HA -0.204 4.266 4.470 -0.000 0.000 0.221 85 S C 2.175 176.784 174.600 0.014 0.000 1.033 85 S CA 1.387 59.586 58.200 -0.002 0.000 1.010 85 S CB -0.079 63.118 63.200 -0.005 0.000 0.891 85 S HN 0.442 nan 8.310 nan 0.000 0.442 86 A N 1.581 124.406 122.820 0.008 0.000 1.883 86 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 86 A C 2.223 179.829 177.584 0.037 0.000 1.186 86 A CA 1.750 53.799 52.037 0.019 0.000 0.624 86 A CB -0.926 18.082 19.000 0.014 0.000 0.822 86 A HN 0.599 nan 8.150 nan 0.000 0.444 87 Q N -0.707 119.120 119.800 0.045 0.000 2.077 87 Q HA -0.280 4.060 4.340 -0.000 0.000 0.206 87 Q C 2.156 178.216 176.000 0.101 0.000 0.989 87 Q CA 2.170 58.019 55.803 0.077 0.000 0.853 87 Q CB -0.677 28.124 28.738 0.105 0.000 0.907 87 Q HN 0.792 nan 8.270 nan 0.000 0.418 88 Q N 1.122 120.979 119.800 0.095 0.000 2.050 88 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 88 Q C 1.862 177.904 176.000 0.070 0.000 0.980 88 Q CA 1.775 57.634 55.803 0.093 0.000 0.840 88 Q CB -0.080 28.699 28.738 0.068 0.000 0.898 88 Q HN 0.321 nan 8.270 nan 0.000 0.424 89 K N -0.031 120.398 120.400 0.048 0.000 2.044 89 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 89 K C 2.173 178.795 176.600 0.036 0.000 1.049 89 K CA 1.786 58.093 56.287 0.033 0.000 0.927 89 K CB -0.145 32.369 32.500 0.023 0.000 0.713 89 K HN 0.306 nan 8.250 nan 0.000 0.443 90 E N 0.356 120.585 120.200 0.049 0.000 2.150 90 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 90 E C 1.787 178.433 176.600 0.077 0.000 0.985 90 E CA 0.593 57.024 56.400 0.053 0.000 0.814 90 E CB 0.072 29.806 29.700 0.057 0.000 0.752 90 E HN 0.195 nan 8.360 nan 0.000 0.466 91 N N 0.530 119.298 118.700 0.113 0.000 2.244 91 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 91 N C 1.525 177.110 175.510 0.124 0.000 1.016 91 N CA 0.754 53.919 53.050 0.191 0.000 0.866 91 N CB 0.081 38.706 38.487 0.229 0.000 0.980 91 N HN 0.136 nan 8.380 nan 0.000 0.430 92 E N 1.055 121.285 120.200 0.050 0.000 2.017 92 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 92 E C 1.578 178.115 176.600 -0.105 0.000 0.997 92 E CA 0.587 56.972 56.400 -0.024 0.000 0.804 92 E CB -0.561 29.134 29.700 -0.008 0.000 0.757 92 E HN 0.344 nan 8.360 nan 0.000 0.448 93 N N 1.163 119.826 118.700 -0.061 0.000 2.089 93 N HA -0.226 4.514 4.740 -0.000 0.000 0.198 93 N C 1.742 177.169 175.510 -0.138 0.000 1.017 93 N CA 1.363 54.368 53.050 -0.074 0.000 0.880 93 N CB -0.260 38.209 38.487 -0.030 0.000 1.042 93 N HN 0.214 nan 8.380 nan 0.000 0.446 94 K N 0.716 121.020 120.400 -0.161 0.000 2.009 94 K HA -0.118 4.202 4.320 -0.000 0.000 0.210 94 K C 2.171 178.399 176.600 -0.621 0.000 1.049 94 K CA 0.847 56.980 56.287 -0.256 0.000 0.929 94 K CB -0.187 32.287 32.500 -0.043 0.000 0.714 94 K HN 0.177 nan 8.250 nan 0.000 0.440 95 R N 0.817 120.712 120.500 -1.009 0.000 2.096 95 R HA -0.178 4.162 4.340 -0.000 0.000 0.240 95 R C 2.008 178.079 176.300 -0.382 0.000 1.139 95 R CA 2.218 57.776 56.100 -0.902 0.000 0.952 95 R CB -0.489 29.510 30.300 -0.502 0.000 0.854 95 R HN 0.180 nan 8.270 nan 0.000 0.436 96 T N 1.220 115.620 114.554 -0.257 0.000 2.607 96 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 96 T C 1.620 176.234 174.700 -0.143 0.000 1.049 96 T CA 1.592 63.599 62.100 -0.154 0.000 1.162 96 T CB -0.259 68.544 68.868 -0.109 0.000 0.863 96 T HN 0.368 nan 8.240 nan 0.000 0.424 97 E N 0.913 121.027 120.200 -0.142 0.000 2.085 97 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 97 E C 2.611 179.123 176.600 -0.145 0.000 0.994 97 E CA 1.209 57.538 56.400 -0.119 0.000 0.801 97 E CB -0.415 29.233 29.700 -0.087 0.000 0.743 97 E HN 0.498 nan 8.360 nan 0.000 0.453 98 A N 1.279 124.012 122.820 -0.145 0.000 1.859 98 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 98 A C 2.549 180.038 177.584 -0.158 0.000 1.198 98 A CA 2.364 54.337 52.037 -0.106 0.000 0.629 98 A CB -1.450 17.541 19.000 -0.015 0.000 0.830 98 A HN 0.375 nan 8.150 nan 0.000 0.446 99 G N -0.377 108.350 108.800 -0.122 0.000 2.505 99 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.220 99 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.220 99 G C 1.658 176.480 174.900 -0.130 0.000 1.145 99 G CA 1.418 46.459 45.100 -0.099 0.000 0.761 99 G HN 0.638 nan 8.290 nan 0.000 0.571 100 K N 0.014 120.327 120.400 -0.146 0.000 2.002 100 K HA -0.050 4.270 4.320 -0.000 0.000 0.209 100 K C 2.728 179.201 176.600 -0.213 0.000 1.048 100 K CA 1.111 57.311 56.287 -0.145 0.000 0.930 100 K CB -0.215 32.210 32.500 -0.124 0.000 0.714 100 K HN 0.184 nan 8.250 nan 0.000 0.438 101 R N 0.746 121.043 120.500 -0.338 0.000 2.120 101 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 101 R C 2.361 178.289 176.300 -0.619 0.000 1.123 101 R CA 0.881 56.628 56.100 -0.587 0.000 0.975 101 R CB -0.538 29.164 30.300 -0.997 0.000 0.866 101 R HN 0.161 nan 8.270 nan 0.000 0.446 102 L N 1.146 122.117 121.223 -0.420 0.000 2.046 102 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 102 L C 1.953 178.769 176.870 -0.090 0.000 1.077 102 L CA 1.797 56.547 54.840 -0.150 0.000 0.747 102 L CB -0.675 41.366 42.059 -0.030 0.000 0.896 102 L HN -0.037 nan 8.230 nan 0.000 0.432 103 S N 0.398 116.034 115.700 -0.107 0.000 2.359 103 S HA -0.237 4.233 4.470 -0.000 0.000 0.222 103 S C 2.121 176.685 174.600 -0.060 0.000 1.038 103 S CA 1.488 59.648 58.200 -0.067 0.000 1.051 103 S CB -0.986 62.172 63.200 -0.069 0.000 0.944 103 S HN 0.714 nan 8.310 nan 0.000 0.433 104 A N 1.870 124.635 122.820 -0.092 0.000 1.883 104 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 104 A C 2.430 179.996 177.584 -0.029 0.000 1.186 104 A CA 2.024 54.023 52.037 -0.065 0.000 0.624 104 A CB -1.386 17.561 19.000 -0.088 0.000 0.822 104 A HN 0.569 nan 8.150 nan 0.000 0.444 105 A N -0.246 122.555 122.820 -0.031 0.000 1.958 105 A HA -0.198 4.122 4.320 -0.000 0.000 0.221 105 A C 2.134 179.756 177.584 0.063 0.000 1.178 105 A CA 1.852 53.932 52.037 0.071 0.000 0.642 105 A CB -0.663 18.457 19.000 0.200 0.000 0.816 105 A HN 0.555 nan 8.150 nan 0.000 0.453 106 I N -0.776 119.815 120.570 0.036 0.000 2.286 106 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 106 I C 2.977 179.106 176.117 0.020 0.000 1.104 106 I CA 0.784 62.104 61.300 0.033 0.000 1.397 106 I CB -0.414 37.600 38.000 0.023 0.000 1.072 106 I HN 0.364 nan 8.210 nan 0.000 0.417 107 A N 1.087 123.911 122.820 0.007 0.000 1.927 107 A HA -0.297 4.023 4.320 -0.000 0.000 0.220 107 A C 2.510 180.101 177.584 0.011 0.000 1.185 107 A CA 2.367 54.407 52.037 0.004 0.000 0.639 107 A CB -0.900 18.097 19.000 -0.004 0.000 0.820 107 A HN 0.463 nan 8.150 nan 0.000 0.451 108 A N -0.888 121.943 122.820 0.018 0.000 1.832 108 A HA -0.146 4.174 4.320 -0.000 0.000 0.214 108 A C 2.233 179.830 177.584 0.022 0.000 1.200 108 A CA 1.683 53.733 52.037 0.022 0.000 0.610 108 A CB -0.654 18.364 19.000 0.030 0.000 0.842 108 A HN 0.399 nan 8.150 nan 0.000 0.444 109 R N 0.430 120.946 120.500 0.028 0.000 2.165 109 R HA -0.235 4.105 4.340 -0.000 0.000 0.254 109 R C 1.878 178.190 176.300 0.019 0.000 1.153 109 R CA 2.399 58.514 56.100 0.025 0.000 0.971 109 R CB -0.648 29.673 30.300 0.035 0.000 0.878 109 R HN 0.798 nan 8.270 nan 0.000 0.449 110 E N 0.005 120.216 120.200 0.018 0.000 2.006 110 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 110 E C 2.055 178.663 176.600 0.013 0.000 0.993 110 E CA 1.009 57.417 56.400 0.014 0.000 0.808 110 E CB -0.318 29.389 29.700 0.012 0.000 0.764 110 E HN 0.304 nan 8.360 nan 0.000 0.449 111 K N 0.986 121.394 120.400 0.013 0.000 2.071 111 K HA -0.297 4.023 4.320 -0.000 0.000 0.217 111 K C 1.678 178.287 176.600 0.014 0.000 1.054 111 K CA 2.312 58.607 56.287 0.012 0.000 0.937 111 K CB -0.118 32.390 32.500 0.012 0.000 0.719 111 K HN 0.005 nan 8.250 nan 0.000 0.454 112 D N 0.209 120.619 120.400 0.016 0.000 2.078 112 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 112 D C 1.877 178.187 176.300 0.016 0.000 0.990 112 D CA 1.276 55.287 54.000 0.018 0.000 0.827 112 D CB -0.398 40.412 40.800 0.016 0.000 0.975 112 D HN 0.398 nan 8.370 nan 0.000 0.451 113 E N 0.400 120.608 120.200 0.014 0.000 2.086 113 E HA -0.300 4.050 4.350 -0.000 0.000 0.205 113 E C 1.924 178.532 176.600 0.013 0.000 1.027 113 E CA 1.433 57.841 56.400 0.013 0.000 0.830 113 E CB -0.042 29.665 29.700 0.013 0.000 0.751 113 E HN 0.040 nan 8.360 nan 0.000 0.456 114 N N -0.199 118.508 118.700 0.012 0.000 2.018 114 N HA -0.170 4.570 4.740 -0.000 0.000 0.196 114 N C 1.736 177.253 175.510 0.012 0.000 1.043 114 N CA 2.336 55.392 53.050 0.011 0.000 0.856 114 N CB -0.796 37.697 38.487 0.010 0.000 1.042 114 N HN 0.131 nan 8.380 nan 0.000 0.423 115 T N 1.544 116.106 114.554 0.014 0.000 2.665 115 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 115 T C 1.922 176.632 174.700 0.016 0.000 1.035 115 T CA 1.354 63.462 62.100 0.015 0.000 1.151 115 T CB -0.537 68.342 68.868 0.018 0.000 0.862 115 T HN 0.217 nan 8.240 nan 0.000 0.438 116 L N 1.172 122.406 121.223 0.018 0.000 1.990 116 L HA -0.156 4.184 4.340 -0.000 0.000 0.213 116 L C 2.289 179.169 176.870 0.016 0.000 1.072 116 L CA 1.906 56.757 54.840 0.019 0.000 0.755 116 L CB -0.479 41.592 42.059 0.020 0.000 0.889 116 L HN 0.161 nan 8.230 nan 0.000 0.432 117 K N -1.053 119.355 120.400 0.013 0.000 2.020 117 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 117 K C 2.010 178.616 176.600 0.010 0.000 1.050 117 K CA 2.344 58.637 56.287 0.011 0.000 0.929 117 K CB -0.792 31.714 32.500 0.010 0.000 0.714 117 K HN 0.677 nan 8.250 nan 0.000 0.443 118 T N 0.429 114.989 114.554 0.010 0.000 2.746 118 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 118 T C 1.912 176.617 174.700 0.009 0.000 1.039 118 T CA 0.915 63.020 62.100 0.009 0.000 1.142 118 T CB -0.388 68.485 68.868 0.008 0.000 0.866 118 T HN 0.008 nan 8.240 nan 0.000 0.444 119 L N 1.050 122.280 121.223 0.011 0.000 2.189 119 L HA 0.022 4.362 4.340 -0.000 0.000 0.214 119 L C 2.775 179.652 176.870 0.011 0.000 1.097 119 L CA 1.598 56.446 54.840 0.012 0.000 0.764 119 L CB -0.483 41.585 42.059 0.016 0.000 0.900 119 L HN 0.287 nan 8.230 nan 0.000 0.436 120 R N -1.992 118.514 120.500 0.011 0.000 2.189 120 R HA 0.160 4.500 4.340 -0.000 0.000 0.203 120 R C 2.135 178.440 176.300 0.008 0.000 1.012 120 R CA 0.729 56.835 56.100 0.010 0.000 1.015 120 R CB -0.305 30.001 30.300 0.010 0.000 0.938 120 R HN 0.332 nan 8.270 nan 0.000 0.472 121 A N 0.624 123.449 122.820 0.007 0.000 2.121 121 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 121 A C 1.941 179.528 177.584 0.006 0.000 1.154 121 A CA 1.550 53.591 52.037 0.006 0.000 0.679 121 A CB -0.373 18.630 19.000 0.006 0.000 0.795 121 A HN 0.423 nan 8.150 nan 0.000 0.458 122 G N -1.852 106.952 108.800 0.006 0.000 3.020 122 G HA2 0.210 4.170 3.960 -0.000 0.000 0.217 122 G HA3 0.210 4.170 3.960 -0.000 0.000 0.217 122 G C 0.288 175.191 174.900 0.005 0.000 1.144 122 G CA 0.271 45.375 45.100 0.005 0.000 0.760 122 G HN 0.338 nan 8.290 nan 0.000 0.548 123 N N -0.127 118.577 118.700 0.006 0.000 2.726 123 N HA -0.129 4.611 4.740 -0.000 0.000 0.253 123 N C 0.591 176.104 175.510 0.005 0.000 1.059 123 N CA 0.631 53.684 53.050 0.005 0.000 0.701 123 N CB -1.405 37.085 38.487 0.004 0.000 0.899 123 N HN 0.658 nan 8.380 nan 0.000 0.548 124 A N -0.072 122.752 122.820 0.007 0.000 2.366 124 A HA 0.276 4.596 4.320 -0.000 0.000 0.250 124 A C 0.591 178.179 177.584 0.006 0.000 1.099 124 A CA -0.027 52.013 52.037 0.006 0.000 0.794 124 A CB 0.301 19.306 19.000 0.008 0.000 1.056 124 A HN 0.362 nan 8.150 nan 0.000 0.499 125 D N -0.111 120.292 120.400 0.005 0.000 2.455 125 D HA 0.328 4.967 4.640 -0.000 0.000 0.241 125 D C 1.338 177.640 176.300 0.004 0.000 1.138 125 D CA 0.940 54.942 54.000 0.003 0.000 0.877 125 D CB 0.908 41.708 40.800 0.001 0.000 1.187 125 D HN 0.606 nan 8.370 nan 0.000 0.451 126 A N 4.136 126.958 122.820 0.003 0.000 1.940 126 A HA -0.238 4.082 4.320 -0.000 0.000 0.221 126 A C 2.147 179.734 177.584 0.004 0.000 1.190 126 A CA 2.742 54.782 52.037 0.005 0.000 0.647 126 A CB -1.125 17.877 19.000 0.002 0.000 0.821 126 A HN 0.719 nan 8.150 nan 0.000 0.457 127 A N -0.682 122.138 122.820 -0.000 0.000 1.877 127 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 127 A C 1.856 179.441 177.584 0.002 0.000 1.186 127 A CA 1.987 54.022 52.037 -0.004 0.000 0.620 127 A CB -0.720 18.273 19.000 -0.010 0.000 0.822 127 A HN 0.459 nan 8.150 nan 0.000 0.443 128 D N 0.044 120.447 120.400 0.005 0.000 2.116 128 D HA -0.158 4.481 4.640 -0.000 0.000 0.193 128 D C 1.812 178.124 176.300 0.020 0.000 0.998 128 D CA 1.398 55.404 54.000 0.011 0.000 0.836 128 D CB -0.290 40.516 40.800 0.010 0.000 0.951 128 D HN 0.513 nan 8.370 nan 0.000 0.449 129 I N 0.391 120.972 120.570 0.020 0.000 2.252 129 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 129 I C 2.193 178.333 176.117 0.038 0.000 1.102 129 I CA 1.057 62.373 61.300 0.027 0.000 1.385 129 I CB -0.462 37.551 38.000 0.021 0.000 1.064 129 I HN 0.005 nan 8.210 nan 0.000 0.414 130 T N 0.682 115.255 114.554 0.031 0.000 2.699 130 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 130 T C 2.009 176.751 174.700 0.070 0.000 1.036 130 T CA 1.400 63.524 62.100 0.040 0.000 1.147 130 T CB -0.277 68.599 68.868 0.013 0.000 0.862 130 T HN 0.346 nan 8.240 nan 0.000 0.446 131 R N 0.499 121.029 120.500 0.050 0.000 2.066 131 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 131 R C 2.718 179.102 176.300 0.140 0.000 1.131 131 R CA 1.229 57.375 56.100 0.076 0.000 0.955 131 R CB -0.330 29.991 30.300 0.035 0.000 0.851 131 R HN 0.243 nan 8.270 nan 0.000 0.432 132 Q N 1.416 121.270 119.800 0.091 0.000 2.061 132 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 132 Q C 1.599 177.655 176.000 0.093 0.000 0.984 132 Q CA 1.914 57.767 55.803 0.083 0.000 0.846 132 Q CB -0.080 28.689 28.738 0.052 0.000 0.902 132 Q HN 0.341 nan 8.270 nan 0.000 0.421 133 E N -0.862 119.393 120.200 0.092 0.000 2.033 133 E HA -0.210 4.140 4.350 -0.000 0.000 0.199 133 E C 1.741 178.408 176.600 0.112 0.000 1.011 133 E CA 1.314 57.763 56.400 0.082 0.000 0.815 133 E CB -0.447 29.298 29.700 0.075 0.000 0.755 133 E HN 0.438 nan 8.360 nan 0.000 0.451 134 F N 1.621 121.576 119.950 0.009 0.000 2.192 134 F HA -0.238 4.289 4.527 -0.000 0.000 0.301 134 F C 2.360 178.172 175.800 0.020 0.000 1.079 134 F CA 1.524 59.532 58.000 0.013 0.000 1.303 134 F CB 0.065 39.075 39.000 0.017 0.000 1.024 134 F HN -0.171 nan 8.300 nan 0.000 0.494 135 R N -0.101 120.493 120.500 0.157 0.000 2.073 135 R HA -0.133 4.207 4.340 -0.000 0.000 0.229 135 R C 2.193 178.475 176.300 -0.031 0.000 1.120 135 R CA 1.439 57.577 56.100 0.064 0.000 0.967 135 R CB -0.491 29.875 30.300 0.110 0.000 0.862 135 R HN 0.427 nan 8.270 nan 0.000 0.436 136 L N 0.964 122.178 121.223 -0.015 0.000 2.156 136 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 136 L C 1.765 178.592 176.870 -0.072 0.000 1.095 136 L CA 1.437 56.261 54.840 -0.027 0.000 0.770 136 L CB -0.532 41.525 42.059 -0.003 0.000 0.914 136 L HN 0.205 nan 8.230 nan 0.000 0.439 137 L N -0.651 120.499 121.223 -0.122 0.000 1.970 137 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 137 L C 2.748 179.485 176.870 -0.222 0.000 1.071 137 L CA 1.933 56.667 54.840 -0.176 0.000 0.751 137 L CB -0.445 41.470 42.059 -0.239 0.000 0.889 137 L HN 0.416 nan 8.230 nan 0.000 0.432 138 Q N -0.749 118.854 119.800 -0.328 0.000 2.077 138 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 138 Q C 2.291 178.203 176.000 -0.147 0.000 0.989 138 Q CA 1.811 57.444 55.803 -0.283 0.000 0.853 138 Q CB -0.339 28.214 28.738 -0.308 0.000 0.907 138 Q HN 0.607 nan 8.270 nan 0.000 0.418 139 A N 1.174 123.938 122.820 -0.093 0.000 1.892 139 A HA -0.295 4.024 4.320 -0.000 0.000 0.218 139 A C 1.906 179.492 177.584 0.004 0.000 1.188 139 A CA 1.868 53.892 52.037 -0.022 0.000 0.631 139 A CB -0.640 18.357 19.000 -0.005 0.000 0.822 139 A HN 0.416 nan 8.150 nan 0.000 0.447 140 E N -0.940 119.247 120.200 -0.020 0.000 2.058 140 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 140 E C 1.929 178.546 176.600 0.027 0.000 0.997 140 E CA 1.357 57.761 56.400 0.006 0.000 0.801 140 E CB -0.223 29.459 29.700 -0.030 0.000 0.746 140 E HN 0.495 nan 8.360 nan 0.000 0.450 141 L N 1.254 122.446 121.223 -0.051 0.000 2.042 141 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 141 L C 2.340 179.270 176.870 0.100 0.000 1.076 141 L CA 1.776 56.576 54.840 -0.066 0.000 0.749 141 L CB -0.373 41.534 42.059 -0.252 0.000 0.893 141 L HN 0.008 nan 8.230 nan 0.000 0.432 142 R N -0.397 120.137 120.500 0.057 0.000 2.080 142 R HA -0.250 4.090 4.340 -0.000 0.000 0.236 142 R C 2.346 178.742 176.300 0.161 0.000 1.137 142 R CA 2.083 58.237 56.100 0.089 0.000 0.943 142 R CB -0.466 29.896 30.300 0.104 0.000 0.846 142 R HN 0.619 nan 8.270 nan 0.000 0.431 143 E N -0.607 119.714 120.200 0.202 0.000 2.049 143 E HA -0.296 4.053 4.350 -0.000 0.000 0.198 143 E C 1.887 178.616 176.600 0.215 0.000 1.007 143 E CA 1.849 58.389 56.400 0.232 0.000 0.809 143 E CB -0.397 29.400 29.700 0.162 0.000 0.749 143 E HN 0.467 nan 8.360 nan 0.000 0.450 144 Y N 0.766 121.123 120.300 0.095 0.000 2.193 144 Y HA -0.197 4.353 4.550 -0.000 0.000 0.285 144 Y C 2.055 178.009 175.900 0.091 0.000 1.166 144 Y CA 2.038 60.196 58.100 0.097 0.000 1.181 144 Y CB -0.757 37.759 38.460 0.092 0.000 0.976 144 Y HN 0.168 nan 8.280 nan 0.000 0.520 145 G N -0.118 108.800 108.800 0.197 0.000 2.586 145 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.218 145 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.218 145 G C 1.453 176.159 174.900 -0.324 0.000 1.216 145 G CA 1.388 46.405 45.100 -0.139 0.000 0.786 145 G HN 0.425 nan 8.290 nan 0.000 0.583 146 F N 1.105 121.050 119.950 -0.009 0.000 2.202 146 F HA 0.021 4.548 4.527 -0.000 0.000 0.301 146 F C 2.919 178.682 175.800 -0.061 0.000 1.082 146 F CA 1.281 59.266 58.000 -0.026 0.000 1.313 146 F CB -0.362 38.636 39.000 -0.004 0.000 1.024 146 F HN 0.004 nan 8.300 nan 0.000 0.495 147 R N -0.402 120.111 120.500 0.021 0.000 2.091 147 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 147 R C 2.164 178.377 176.300 -0.146 0.000 1.136 147 R CA 1.971 58.023 56.100 -0.080 0.000 0.959 147 R CB -1.096 29.091 30.300 -0.189 0.000 0.856 147 R HN 0.226 nan 8.270 nan 0.000 0.437 148 T N 0.921 115.314 114.554 -0.267 0.000 2.674 148 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 148 T C 1.549 176.198 174.700 -0.085 0.000 1.039 148 T CA 1.409 63.379 62.100 -0.217 0.000 1.150 148 T CB -0.157 68.564 68.868 -0.244 0.000 0.864 148 T HN 0.381 nan 8.240 nan 0.000 0.427 149 E N 0.487 120.663 120.200 -0.040 0.000 2.130 149 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 149 E C 2.192 178.919 176.600 0.212 0.000 0.998 149 E CA 0.953 57.400 56.400 0.078 0.000 0.806 149 E CB -0.222 29.587 29.700 0.182 0.000 0.738 149 E HN 0.397 nan 8.360 nan 0.000 0.459 150 I N 1.093 121.769 120.570 0.176 0.000 2.179 150 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 150 I C 2.604 178.806 176.117 0.142 0.000 1.088 150 I CA 1.099 62.514 61.300 0.192 0.000 1.357 150 I CB -1.561 36.493 38.000 0.090 0.000 1.051 150 I HN 0.008 nan 8.210 nan 0.000 0.409 151 A N 1.220 124.070 122.820 0.049 0.000 1.958 151 A HA -0.183 4.137 4.320 -0.000 0.000 0.221 151 A C 2.506 180.102 177.584 0.020 0.000 1.178 151 A CA 2.193 54.239 52.037 0.016 0.000 0.642 151 A CB -1.357 17.626 19.000 -0.028 0.000 0.816 151 A HN 0.462 nan 8.150 nan 0.000 0.453 152 G N -1.859 106.939 108.800 -0.004 0.000 2.404 152 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.214 152 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.214 152 G C 1.426 176.291 174.900 -0.059 0.000 1.189 152 G CA 1.044 46.102 45.100 -0.069 0.000 0.789 152 G HN 0.509 nan 8.290 nan 0.000 0.533 153 Y N 1.702 122.024 120.300 0.038 0.000 2.102 153 Y HA -0.170 4.380 4.550 -0.000 0.000 0.280 153 Y C 2.767 178.690 175.900 0.039 0.000 1.178 153 Y CA 1.662 59.790 58.100 0.047 0.000 1.146 153 Y CB -0.248 38.235 38.460 0.038 0.000 0.968 153 Y HN 0.160 nan 8.280 nan 0.000 0.504 154 D N -0.463 120.038 120.400 0.167 0.000 2.104 154 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 154 D C 2.302 178.631 176.300 0.048 0.000 0.994 154 D CA 1.465 55.517 54.000 0.086 0.000 0.830 154 D CB -0.718 40.114 40.800 0.053 0.000 0.959 154 D HN 0.348 nan 8.370 nan 0.000 0.452 155 A N 1.030 123.875 122.820 0.042 0.000 1.892 155 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 155 A C 2.438 180.065 177.584 0.071 0.000 1.188 155 A CA 1.246 53.306 52.037 0.038 0.000 0.631 155 A CB -0.918 18.121 19.000 0.064 0.000 0.822 155 A HN 0.229 nan 8.150 nan 0.000 0.447 156 L N -1.375 119.908 121.223 0.099 0.000 1.990 156 L HA -0.246 4.094 4.340 -0.000 0.000 0.213 156 L C 2.838 179.729 176.870 0.035 0.000 1.072 156 L CA 2.116 57.031 54.840 0.125 0.000 0.755 156 L CB -0.630 41.541 42.059 0.187 0.000 0.889 156 L HN 0.462 nan 8.230 nan 0.000 0.432 157 R N 0.294 120.828 120.500 0.057 0.000 2.105 157 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 157 R C 2.347 178.617 176.300 -0.050 0.000 1.135 157 R CA 1.326 57.436 56.100 0.018 0.000 0.967 157 R CB -0.166 30.155 30.300 0.035 0.000 0.861 157 R HN 0.319 nan 8.270 nan 0.000 0.442 158 L N -0.744 120.437 121.223 -0.071 0.000 2.005 158 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 158 L C 2.579 179.327 176.870 -0.204 0.000 1.072 158 L CA 1.244 56.003 54.840 -0.135 0.000 0.744 158 L CB -0.712 41.251 42.059 -0.160 0.000 0.895 158 L HN 0.373 nan 8.230 nan 0.000 0.433 159 H N -0.200 118.708 119.070 -0.270 0.000 2.289 159 H HA -0.175 4.381 4.556 -0.000 0.000 0.296 159 H C 2.286 177.273 175.328 -0.568 0.000 1.091 159 H CA 2.166 57.934 56.048 -0.466 0.000 1.274 159 H CB -0.347 28.965 29.762 -0.751 0.000 1.364 159 H HN 0.313 nan 8.280 nan 0.000 0.490 160 T N 1.044 115.306 114.554 -0.487 0.000 2.624 160 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 160 T C 1.883 176.532 174.700 -0.085 0.000 1.041 160 T CA 1.838 63.786 62.100 -0.252 0.000 1.159 160 T CB -0.266 68.568 68.868 -0.057 0.000 0.863 160 T HN 0.493 nan 8.240 nan 0.000 0.434 161 E N 1.183 121.330 120.200 -0.089 0.000 2.026 161 E HA -0.191 4.159 4.350 -0.000 0.000 0.206 161 E C 2.639 179.195 176.600 -0.073 0.000 1.028 161 E CA 1.780 58.140 56.400 -0.066 0.000 0.845 161 E CB -0.340 29.309 29.700 -0.084 0.000 0.772 161 E HN 0.619 nan 8.360 nan 0.000 0.462 162 S N 0.953 116.578 115.700 -0.125 0.000 2.407 162 S HA -0.225 4.245 4.470 -0.000 0.000 0.235 162 S C 1.860 176.423 174.600 -0.061 0.000 1.036 162 S CA 0.981 59.060 58.200 -0.202 0.000 1.013 162 S CB -0.356 62.730 63.200 -0.191 0.000 0.820 162 S HN 0.139 nan 8.310 nan 0.000 0.476 163 R N 0.631 121.218 120.500 0.145 0.000 2.061 163 R HA 0.104 4.444 4.340 -0.000 0.000 0.230 163 R C 2.570 179.073 176.300 0.338 0.000 1.140 163 R CA 1.376 57.700 56.100 0.374 0.000 0.940 163 R CB -0.771 29.755 30.300 0.376 0.000 0.839 163 R HN 0.434 nan 8.270 nan 0.000 0.429 164 M N 0.924 120.646 119.600 0.203 0.000 2.113 164 M HA -0.248 4.232 4.480 -0.000 0.000 0.255 164 M C 2.491 178.885 176.300 0.157 0.000 1.073 164 M CA 1.797 57.199 55.300 0.170 0.000 1.091 164 M CB -1.036 31.606 32.600 0.069 0.000 1.309 164 M HN 0.147 nan 8.290 nan 0.000 0.407 165 L N -1.353 119.899 121.223 0.049 0.000 1.976 165 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 165 L C 2.440 179.362 176.870 0.087 0.000 1.071 165 L CA 1.255 56.086 54.840 -0.016 0.000 0.746 165 L CB -0.851 41.098 42.059 -0.182 0.000 0.890 165 L HN 0.076 nan 8.230 nan 0.000 0.432 166 F N 0.467 120.481 119.950 0.108 0.000 2.085 166 F HA -0.357 4.170 4.527 -0.000 0.000 0.299 166 F C 2.596 178.545 175.800 0.248 0.000 1.096 166 F CA 1.364 59.450 58.000 0.143 0.000 1.227 166 F CB -1.240 37.852 39.000 0.153 0.000 0.983 166 F HN 0.087 nan 8.300 nan 0.000 0.482 167 A N 0.044 123.171 122.820 0.512 0.000 1.841 167 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 167 A C 2.041 179.799 177.584 0.289 0.000 1.199 167 A CA 2.075 54.416 52.037 0.508 0.000 0.621 167 A CB -1.113 18.248 19.000 0.601 0.000 0.835 167 A HN 0.358 nan 8.150 nan 0.000 0.445 168 D N 0.020 120.549 120.400 0.215 0.000 2.354 168 D HA -0.029 4.611 4.640 -0.000 0.000 0.216 168 D C 1.577 177.951 176.300 0.123 0.000 0.970 168 D CA 1.144 55.216 54.000 0.120 0.000 0.905 168 D CB -0.204 40.648 40.800 0.085 0.000 0.903 168 D HN 0.462 nan 8.370 nan 0.000 0.508 169 A N 0.357 123.296 122.820 0.198 0.000 2.302 169 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 169 A C 1.095 178.916 177.584 0.395 0.000 1.243 169 A CA 0.300 52.476 52.037 0.233 0.000 0.856 169 A CB 0.271 19.383 19.000 0.186 0.000 0.893 169 A HN -0.066 nan 8.150 nan 0.000 0.491 170 D N -2.001 118.551 120.400 0.254 0.000 2.482 170 D HA 0.021 4.661 4.640 -0.000 0.000 0.251 170 D C 1.710 178.011 176.300 0.001 0.000 1.073 170 D CA 0.937 55.036 54.000 0.165 0.000 0.892 170 D CB -0.196 40.623 40.800 0.031 0.000 1.202 170 D HN 0.206 nan 8.370 nan 0.000 0.496 171 S N 0.511 116.184 115.700 -0.046 0.000 2.807 171 S HA -0.372 4.098 4.470 -0.000 0.000 0.360 171 S C 1.462 176.024 174.600 -0.064 0.000 1.445 171 S CA 2.344 60.503 58.200 -0.068 0.000 1.064 171 S CB -0.325 62.866 63.200 -0.015 0.000 1.154 171 S HN 0.484 nan 8.310 nan 0.000 0.447 172 L N -3.142 118.067 121.223 -0.023 0.000 4.982 172 L HA -0.294 4.046 4.340 -0.000 0.000 0.402 172 L C 1.558 178.409 176.870 -0.032 0.000 0.863 172 L CA 1.859 56.687 54.840 -0.021 0.000 1.876 172 L CB -1.336 40.699 42.059 -0.040 0.000 1.554 172 L HN 0.431 nan 8.230 nan 0.000 0.603 173 R N 0.473 120.956 120.500 -0.028 0.000 2.280 173 R HA 0.269 4.609 4.340 -0.000 0.000 0.195 173 R C 0.969 177.263 176.300 -0.010 0.000 0.935 173 R CA 0.668 56.752 56.100 -0.026 0.000 1.033 173 R CB 0.246 30.531 30.300 -0.026 0.000 0.964 173 R HN 0.571 nan 8.270 nan 0.000 0.489 174 I N -1.073 119.500 120.570 0.005 0.000 3.078 174 I HA 0.300 4.470 4.170 -0.000 0.000 0.318 174 I C 0.236 176.366 176.117 0.021 0.000 1.016 174 I CA -0.996 60.314 61.300 0.017 0.000 1.130 174 I CB 1.288 39.309 38.000 0.034 0.000 1.397 174 I HN -0.185 nan 8.210 nan 0.000 0.570 175 S N 1.574 117.288 115.700 0.022 0.000 2.562 175 S HA 0.363 4.833 4.470 -0.000 0.000 0.275 175 S C -1.543 173.080 174.600 0.039 0.000 1.281 175 S CA -1.199 57.013 58.200 0.020 0.000 1.045 175 S CB 0.912 64.118 63.200 0.012 0.000 0.962 175 S HN 0.637 nan 8.310 nan 0.000 0.503 176 P HA -0.228 nan 4.420 nan 0.000 0.218 176 P C 1.335 178.672 177.300 0.063 0.000 1.146 176 P CA 1.108 64.245 63.100 0.062 0.000 0.820 176 P CB 0.120 31.838 31.700 0.030 0.000 0.778 177 R N 1.699 122.220 120.500 0.035 0.000 2.092 177 R HA -0.183 4.157 4.340 -0.000 0.000 0.226 177 R C 2.371 178.690 176.300 0.031 0.000 1.140 177 R CA 2.282 58.398 56.100 0.026 0.000 0.910 177 R CB -1.712 28.595 30.300 0.012 0.000 0.822 177 R HN -0.031 nan 8.270 nan 0.000 0.433 178 E N 0.276 120.493 120.200 0.028 0.000 2.169 178 E HA -0.234 4.115 4.350 -0.000 0.000 0.202 178 E C 1.575 178.201 176.600 0.044 0.000 1.016 178 E CA 2.067 58.483 56.400 0.027 0.000 0.817 178 E CB -0.632 29.084 29.700 0.026 0.000 0.736 178 E HN 0.450 nan 8.360 nan 0.000 0.462 179 A N 1.108 123.979 122.820 0.084 0.000 1.827 179 A HA -0.237 4.082 4.320 -0.000 0.000 0.215 179 A C 2.327 179.951 177.584 0.067 0.000 1.212 179 A CA 2.124 54.251 52.037 0.151 0.000 0.624 179 A CB -1.039 18.119 19.000 0.265 0.000 0.853 179 A HN 0.351 nan 8.150 nan 0.000 0.450 180 R N -0.512 120.033 120.500 0.075 0.000 2.244 180 R HA -0.172 4.168 4.340 -0.000 0.000 0.252 180 R C 2.313 178.584 176.300 -0.047 0.000 1.177 180 R CA 1.785 57.887 56.100 0.002 0.000 1.004 180 R CB -0.254 30.067 30.300 0.035 0.000 0.873 180 R HN 0.567 nan 8.270 nan 0.000 0.469 181 S N -0.076 115.607 115.700 -0.028 0.000 2.371 181 S HA 0.030 4.500 4.470 -0.000 0.000 0.221 181 S C 1.950 176.510 174.600 -0.068 0.000 1.036 181 S CA 0.358 58.532 58.200 -0.043 0.000 0.965 181 S CB -0.055 63.131 63.200 -0.024 0.000 0.845 181 S HN 0.346 nan 8.310 nan 0.000 0.475 182 L N 1.096 122.288 121.223 -0.051 0.000 2.013 182 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 182 L C 2.456 179.248 176.870 -0.130 0.000 1.073 182 L CA 1.642 56.444 54.840 -0.063 0.000 0.753 182 L CB -0.483 41.572 42.059 -0.008 0.000 0.890 182 L HN 0.400 nan 8.230 nan 0.000 0.432 183 I N -0.296 120.169 120.570 -0.175 0.000 2.142 183 I HA -0.324 3.846 4.170 -0.000 0.000 0.240 183 I C 2.505 178.496 176.117 -0.210 0.000 1.078 183 I CA 1.495 62.648 61.300 -0.245 0.000 1.343 183 I CB -0.045 37.631 38.000 -0.540 0.000 1.046 183 I HN 0.301 nan 8.210 nan 0.000 0.405 184 E N -0.017 120.085 120.200 -0.164 0.000 2.130 184 E HA -0.324 4.026 4.350 -0.000 0.000 0.196 184 E C 2.155 178.671 176.600 -0.141 0.000 0.998 184 E CA 1.487 57.813 56.400 -0.123 0.000 0.806 184 E CB -0.144 29.505 29.700 -0.085 0.000 0.738 184 E HN 0.643 nan 8.360 nan 0.000 0.459 185 Q N 0.119 119.827 119.800 -0.154 0.000 1.993 185 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 185 Q C 2.349 178.197 176.000 -0.252 0.000 0.984 185 Q CA 1.299 57.004 55.803 -0.164 0.000 0.837 185 Q CB -0.252 28.404 28.738 -0.137 0.000 0.902 185 Q HN 0.245 nan 8.270 nan 0.000 0.423 186 A N 1.535 124.120 122.820 -0.392 0.000 1.869 186 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 186 A C 1.882 179.089 177.584 -0.627 0.000 1.203 186 A CA 2.140 53.736 52.037 -0.736 0.000 0.638 186 A CB -0.797 17.301 19.000 -1.504 0.000 0.831 186 A HN 0.419 nan 8.150 nan 0.000 0.450 187 E N -0.236 119.719 120.200 -0.408 0.000 2.049 187 E HA -0.249 4.101 4.350 -0.000 0.000 0.198 187 E C 2.096 178.624 176.600 -0.120 0.000 1.007 187 E CA 1.803 58.131 56.400 -0.120 0.000 0.809 187 E CB -0.225 29.464 29.700 -0.018 0.000 0.749 187 E HN 0.644 nan 8.360 nan 0.000 0.450 188 K N 0.362 120.683 120.400 -0.132 0.000 2.020 188 K HA -0.239 4.081 4.320 -0.000 0.000 0.212 188 K C 2.285 178.811 176.600 -0.123 0.000 1.050 188 K CA 1.586 57.810 56.287 -0.105 0.000 0.929 188 K CB -0.182 32.260 32.500 -0.097 0.000 0.714 188 K HN -0.092 nan 8.250 nan 0.000 0.443 189 R N 1.563 121.963 120.500 -0.167 0.000 2.080 189 R HA -0.183 4.157 4.340 -0.000 0.000 0.236 189 R C 2.292 178.479 176.300 -0.187 0.000 1.137 189 R CA 1.914 57.910 56.100 -0.174 0.000 0.943 189 R CB -0.487 29.692 30.300 -0.201 0.000 0.846 189 R HN 0.269 nan 8.270 nan 0.000 0.431 190 Q N 0.157 119.843 119.800 -0.190 0.000 2.152 190 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 190 Q C 1.916 177.819 176.000 -0.163 0.000 0.985 190 Q CA 2.128 57.837 55.803 -0.157 0.000 0.863 190 Q CB -0.101 28.656 28.738 0.033 0.000 0.904 190 Q HN 0.313 nan 8.270 nan 0.000 0.422 191 K N -0.058 120.282 120.400 -0.101 0.000 2.002 191 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 191 K C 1.618 178.156 176.600 -0.105 0.000 1.048 191 K CA 1.724 57.965 56.287 -0.076 0.000 0.930 191 K CB -0.041 32.430 32.500 -0.049 0.000 0.714 191 K HN 0.313 nan 8.250 nan 0.000 0.438 192 D N 0.462 120.794 120.400 -0.115 0.000 2.133 192 D HA -0.220 4.420 4.640 -0.000 0.000 0.192 192 D C 1.762 177.976 176.300 -0.144 0.000 1.001 192 D CA 1.530 55.465 54.000 -0.109 0.000 0.844 192 D CB -0.290 40.445 40.800 -0.108 0.000 0.944 192 D HN 0.349 nan 8.370 nan 0.000 0.447 193 A N 0.984 123.659 122.820 -0.242 0.000 1.883 193 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 193 A C 2.173 179.585 177.584 -0.287 0.000 1.186 193 A CA 1.815 53.618 52.037 -0.390 0.000 0.624 193 A CB -0.747 17.734 19.000 -0.865 0.000 0.822 193 A HN 0.279 nan 8.150 nan 0.000 0.444 194 Q N -0.505 119.164 119.800 -0.219 0.000 2.124 194 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 194 Q C 1.946 177.928 176.000 -0.030 0.000 0.977 194 Q CA 1.613 57.379 55.803 -0.061 0.000 0.850 194 Q CB -0.311 28.414 28.738 -0.022 0.000 0.901 194 Q HN 0.812 nan 8.270 nan 0.000 0.429 195 N N 0.381 119.051 118.700 -0.049 0.000 2.084 195 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 195 N C 1.853 177.351 175.510 -0.020 0.000 1.030 195 N CA 0.816 53.849 53.050 -0.027 0.000 0.849 195 N CB -0.147 38.321 38.487 -0.032 0.000 1.012 195 N HN 0.216 nan 8.380 nan 0.000 0.423 196 A N 1.713 124.511 122.820 -0.037 0.000 1.903 196 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 196 A C 1.717 179.303 177.584 0.003 0.000 1.191 196 A CA 1.913 53.938 52.037 -0.021 0.000 0.638 196 A CB -0.683 18.296 19.000 -0.036 0.000 0.823 196 A HN 0.243 nan 8.150 nan 0.000 0.451 197 D N -0.659 119.753 120.400 0.019 0.000 2.106 197 D HA -0.199 4.441 4.640 -0.000 0.000 0.191 197 D C 1.882 178.198 176.300 0.027 0.000 0.997 197 D CA 1.801 55.829 54.000 0.046 0.000 0.834 197 D CB -0.326 40.528 40.800 0.089 0.000 0.956 197 D HN 0.601 nan 8.370 nan 0.000 0.448 198 K N 1.115 121.528 120.400 0.021 0.000 2.209 198 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 198 K C 2.002 178.613 176.600 0.020 0.000 1.048 198 K CA 0.888 57.187 56.287 0.020 0.000 0.940 198 K CB 0.110 32.620 32.500 0.017 0.000 0.729 198 K HN -0.030 nan 8.250 nan 0.000 0.451 199 K N 0.261 120.670 120.400 0.014 0.000 1.984 199 K HA -0.122 4.197 4.320 -0.000 0.000 0.209 199 K C 2.006 178.616 176.600 0.018 0.000 1.046 199 K CA 1.244 57.541 56.287 0.016 0.000 0.934 199 K CB -0.233 32.271 32.500 0.007 0.000 0.717 199 K HN 0.153 nan 8.250 nan 0.000 0.438 200 A N 1.328 124.152 122.820 0.007 0.000 1.859 200 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 200 A C 2.414 180.004 177.584 0.011 0.000 1.198 200 A CA 2.426 54.461 52.037 -0.004 0.000 0.629 200 A CB -1.301 17.690 19.000 -0.015 0.000 0.830 200 A HN 0.545 nan 8.150 nan 0.000 0.446 201 A N -0.020 122.810 122.820 0.015 0.000 1.884 201 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 201 A C 1.795 179.406 177.584 0.044 0.000 1.197 201 A CA 2.266 54.317 52.037 0.023 0.000 0.637 201 A CB -0.908 18.105 19.000 0.021 0.000 0.827 201 A HN 0.530 nan 8.150 nan 0.000 0.450 202 D N -0.878 119.551 120.400 0.048 0.000 2.092 202 D HA -0.199 4.441 4.640 -0.000 0.000 0.193 202 D C 1.924 178.285 176.300 0.102 0.000 0.994 202 D CA 1.743 55.781 54.000 0.064 0.000 0.828 202 D CB -0.509 40.325 40.800 0.057 0.000 0.963 202 D HN 0.475 nan 8.370 nan 0.000 0.450 203 M N -0.053 119.612 119.600 0.108 0.000 2.108 203 M HA -0.217 4.263 4.480 -0.000 0.000 0.257 203 M C 1.963 178.402 176.300 0.231 0.000 1.071 203 M CA 1.199 56.605 55.300 0.177 0.000 1.093 203 M CB -0.068 32.561 32.600 0.049 0.000 1.345 203 M HN 0.039 nan 8.290 nan 0.000 0.403 204 L N -0.226 121.069 121.223 0.121 0.000 2.201 204 L HA -0.006 4.334 4.340 -0.000 0.000 0.212 204 L C 2.226 179.189 176.870 0.154 0.000 1.105 204 L CA 1.881 56.782 54.840 0.102 0.000 0.775 204 L CB -0.860 41.210 42.059 0.019 0.000 0.913 204 L HN 0.290 nan 8.230 nan 0.000 0.440 205 A N -0.601 122.297 122.820 0.130 0.000 1.840 205 A HA -0.181 4.139 4.320 -0.000 0.000 0.214 205 A C 2.181 179.842 177.584 0.129 0.000 1.198 205 A CA 1.275 53.379 52.037 0.111 0.000 0.608 205 A CB -0.760 18.284 19.000 0.074 0.000 0.839 205 A HN 0.466 nan 8.150 nan 0.000 0.443 206 E N -0.584 119.694 120.200 0.131 0.000 2.113 206 E HA -0.311 4.039 4.350 -0.000 0.000 0.210 206 E C 1.687 178.302 176.600 0.025 0.000 1.040 206 E CA 2.326 58.764 56.400 0.064 0.000 0.847 206 E CB -0.780 28.976 29.700 0.092 0.000 0.755 206 E HN 0.635 nan 8.360 nan 0.000 0.459 207 Y N 1.313 121.641 120.300 0.046 0.000 2.002 207 Y HA -0.328 4.222 4.550 -0.000 0.000 0.268 207 Y C 2.185 178.075 175.900 -0.018 0.000 1.177 207 Y CA 2.746 60.863 58.100 0.029 0.000 1.111 207 Y CB -0.323 38.230 38.460 0.156 0.000 0.952 207 Y HN 0.124 nan 8.280 nan 0.000 0.491 208 E N 0.053 120.381 120.200 0.213 0.000 2.085 208 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 208 E C 2.309 178.899 176.600 -0.016 0.000 0.994 208 E CA 1.108 57.564 56.400 0.093 0.000 0.801 208 E CB -0.507 29.281 29.700 0.147 0.000 0.743 208 E HN 0.430 nan 8.360 nan 0.000 0.453 209 R N 1.139 121.633 120.500 -0.010 0.000 2.159 209 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 209 R C 2.025 178.271 176.300 -0.089 0.000 1.131 209 R CA 1.044 57.122 56.100 -0.036 0.000 0.982 209 R CB 0.004 30.288 30.300 -0.027 0.000 0.868 209 R HN 0.153 nan 8.270 nan 0.000 0.453 210 R N -0.399 120.002 120.500 -0.165 0.000 2.090 210 R HA 0.002 4.342 4.340 -0.000 0.000 0.219 210 R C 2.299 178.479 176.300 -0.201 0.000 1.100 210 R CA 0.690 56.660 56.100 -0.217 0.000 0.991 210 R CB -0.250 29.846 30.300 -0.341 0.000 0.893 210 R HN 0.081 nan 8.270 nan 0.000 0.443 211 K N 0.784 121.031 120.400 -0.256 0.000 2.074 211 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 211 K C 2.044 178.620 176.600 -0.040 0.000 1.048 211 K CA 1.861 58.050 56.287 -0.164 0.000 0.926 211 K CB -0.412 32.008 32.500 -0.132 0.000 0.713 211 K HN 0.248 nan 8.250 nan 0.000 0.444 212 G N 1.576 110.356 108.800 -0.033 0.000 2.476 212 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 212 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 212 G C 1.529 176.429 174.900 0.001 0.000 1.164 212 G CA 1.212 46.310 45.100 -0.003 0.000 0.768 212 G HN 0.329 nan 8.290 nan 0.000 0.560 213 I N 0.355 120.912 120.570 -0.021 0.000 2.208 213 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 213 I C 2.783 178.917 176.117 0.028 0.000 1.097 213 I CA 0.680 61.975 61.300 -0.008 0.000 1.363 213 I CB -0.189 37.789 38.000 -0.036 0.000 1.051 213 I HN 0.178 nan 8.210 nan 0.000 0.413 214 L N 0.187 121.421 121.223 0.019 0.000 1.989 214 L HA -0.285 4.055 4.340 -0.000 0.000 0.211 214 L C 2.223 179.207 176.870 0.189 0.000 1.071 214 L CA 1.623 56.520 54.840 0.095 0.000 0.749 214 L CB -0.874 41.208 42.059 0.038 0.000 0.890 214 L HN 0.256 nan 8.230 nan 0.000 0.431 215 D N -0.492 119.977 120.400 0.116 0.000 2.172 215 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 215 D C 2.085 178.424 176.300 0.066 0.000 0.999 215 D CA 1.798 55.848 54.000 0.082 0.000 0.856 215 D CB -0.213 40.611 40.800 0.039 0.000 0.934 215 D HN 0.348 nan 8.370 nan 0.000 0.453 216 T N 0.003 114.592 114.554 0.060 0.000 2.698 216 T HA -0.119 4.231 4.350 -0.000 0.000 0.260 216 T C 1.967 176.701 174.700 0.057 0.000 1.044 216 T CA 0.914 63.039 62.100 0.041 0.000 1.149 216 T CB -0.137 68.749 68.868 0.030 0.000 0.864 216 T HN -0.068 nan 8.240 nan 0.000 0.419 217 R N 0.978 121.542 120.500 0.107 0.000 2.139 217 R HA -0.022 4.318 4.340 -0.000 0.000 0.243 217 R C 2.120 178.471 176.300 0.084 0.000 1.145 217 R CA 0.945 57.136 56.100 0.151 0.000 0.976 217 R CB -1.101 29.363 30.300 0.273 0.000 0.866 217 R HN 0.333 nan 8.270 nan 0.000 0.449 218 L N -0.527 120.750 121.223 0.090 0.000 2.072 218 L HA 0.019 4.359 4.340 -0.000 0.000 0.205 218 L C 1.956 178.743 176.870 -0.139 0.000 1.079 218 L CA 1.744 56.478 54.840 -0.176 0.000 0.752 218 L CB -0.763 41.271 42.059 -0.041 0.000 0.906 218 L HN 0.066 nan 8.230 nan 0.000 0.436 219 S N -0.445 115.223 115.700 -0.053 0.000 2.382 219 S HA -0.193 4.277 4.470 -0.000 0.000 0.228 219 S C 1.761 176.329 174.600 -0.054 0.000 1.027 219 S CA 1.394 59.564 58.200 -0.050 0.000 0.991 219 S CB -0.260 62.925 63.200 -0.025 0.000 0.823 219 S HN 0.524 nan 8.310 nan 0.000 0.469 220 E N 0.512 120.686 120.200 -0.043 0.000 2.038 220 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 220 E C 2.079 178.640 176.600 -0.065 0.000 1.000 220 E CA 1.102 57.479 56.400 -0.038 0.000 0.803 220 E CB -0.290 29.399 29.700 -0.018 0.000 0.750 220 E HN 0.234 nan 8.360 nan 0.000 0.448 221 L N 1.577 122.734 121.223 -0.110 0.000 1.997 221 L HA -0.275 4.065 4.340 -0.000 0.000 0.216 221 L C 2.109 178.907 176.870 -0.120 0.000 1.074 221 L CA 1.922 56.673 54.840 -0.149 0.000 0.763 221 L CB -0.368 41.513 42.059 -0.297 0.000 0.890 221 L HN 0.115 nan 8.230 nan 0.000 0.434 222 E N -1.090 119.039 120.200 -0.119 0.000 2.051 222 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 222 E C 2.158 178.721 176.600 -0.061 0.000 0.991 222 E CA 1.439 57.786 56.400 -0.088 0.000 0.799 222 E CB -0.103 29.549 29.700 -0.080 0.000 0.748 222 E HN 0.444 nan 8.360 nan 0.000 0.449 223 K N 0.876 121.244 120.400 -0.053 0.000 1.978 223 K HA -0.201 4.119 4.320 -0.000 0.000 0.214 223 K C 1.982 178.560 176.600 -0.036 0.000 1.049 223 K CA 1.795 58.059 56.287 -0.039 0.000 0.939 223 K CB -0.380 32.101 32.500 -0.032 0.000 0.721 223 K HN 0.142 nan 8.250 nan 0.000 0.441 224 N N 0.432 119.109 118.700 -0.038 0.000 2.289 224 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 224 N C 1.767 177.256 175.510 -0.035 0.000 1.016 224 N CA 1.615 54.646 53.050 -0.033 0.000 0.872 224 N CB -0.918 37.551 38.487 -0.030 0.000 0.973 224 N HN 0.207 nan 8.380 nan 0.000 0.433 225 G N -0.306 108.468 108.800 -0.045 0.000 2.422 225 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 225 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 225 G C 1.508 176.388 174.900 -0.034 0.000 1.146 225 G CA 0.754 45.828 45.100 -0.043 0.000 0.769 225 G HN 0.530 nan 8.290 nan 0.000 0.547 226 G N 0.867 109.647 108.800 -0.033 0.000 2.396 226 G HA2 0.154 4.114 3.960 -0.000 0.000 0.214 226 G HA3 0.154 4.114 3.960 -0.000 0.000 0.214 226 G C 2.055 176.942 174.900 -0.022 0.000 1.166 226 G CA 1.307 46.391 45.100 -0.027 0.000 0.793 226 G HN 0.587 nan 8.290 nan 0.000 0.533 227 A N 1.379 124.186 122.820 -0.022 0.000 1.917 227 A HA 0.121 4.441 4.320 -0.000 0.000 0.219 227 A C 2.798 180.372 177.584 -0.017 0.000 1.182 227 A CA 2.523 54.549 52.037 -0.018 0.000 0.633 227 A CB -0.836 18.153 19.000 -0.018 0.000 0.819 227 A HN 0.777 nan 8.150 nan 0.000 0.448 228 A N -0.472 122.338 122.820 -0.018 0.000 1.858 228 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 228 A C 2.184 179.759 177.584 -0.015 0.000 1.190 228 A CA 1.393 53.420 52.037 -0.016 0.000 0.617 228 A CB -0.700 18.289 19.000 -0.017 0.000 0.827 228 A HN 0.492 nan 8.150 nan 0.000 0.443 229 L N -0.643 120.570 121.223 -0.017 0.000 1.991 229 L HA -0.345 3.995 4.340 -0.000 0.000 0.221 229 L C 3.059 179.921 176.870 -0.013 0.000 1.079 229 L CA 1.973 56.803 54.840 -0.016 0.000 0.778 229 L CB -0.700 41.349 42.059 -0.017 0.000 0.893 229 L HN 0.494 nan 8.230 nan 0.000 0.437 230 A N -0.570 122.241 122.820 -0.014 0.000 1.869 230 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 230 A C 2.137 179.715 177.584 -0.010 0.000 1.203 230 A CA 2.435 54.465 52.037 -0.012 0.000 0.638 230 A CB -1.189 17.803 19.000 -0.012 0.000 0.831 230 A HN 0.337 nan 8.150 nan 0.000 0.450 231 V N 0.123 120.031 119.914 -0.010 0.000 2.439 231 V HA -0.314 3.806 4.120 -0.000 0.000 0.253 231 V C 2.459 178.548 176.094 -0.008 0.000 1.074 231 V CA 2.132 64.427 62.300 -0.009 0.000 1.076 231 V CB -0.858 30.959 31.823 -0.009 0.000 0.664 231 V HN 0.551 nan 8.190 nan 0.000 0.461 232 L N -0.912 120.306 121.223 -0.009 0.000 2.102 232 L HA -0.040 4.300 4.340 -0.000 0.000 0.202 232 L C 2.309 179.174 176.870 -0.008 0.000 1.076 232 L CA 1.233 56.068 54.840 -0.008 0.000 0.761 232 L CB -0.741 41.312 42.059 -0.009 0.000 0.921 232 L HN 0.242 nan 8.230 nan 0.000 0.444 233 D N 0.762 121.157 120.400 -0.009 0.000 2.133 233 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 233 D C 2.151 178.447 176.300 -0.007 0.000 0.997 233 D CA 1.644 55.638 54.000 -0.008 0.000 0.840 233 D CB 0.034 40.828 40.800 -0.009 0.000 0.947 233 D HN 0.303 nan 8.370 nan 0.000 0.452 234 A N -0.123 122.692 122.820 -0.007 0.000 1.970 234 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 234 A C 2.091 179.671 177.584 -0.006 0.000 1.170 234 A CA 0.985 53.018 52.037 -0.007 0.000 0.645 234 A CB -0.393 18.603 19.000 -0.007 0.000 0.816 234 A HN 0.141 nan 8.150 nan 0.000 0.447 235 Q N -0.337 119.460 119.800 -0.006 0.000 2.079 235 Q HA -0.234 4.106 4.340 -0.000 0.000 0.200 235 Q C 2.110 178.107 176.000 -0.005 0.000 0.974 235 Q CA 1.857 57.657 55.803 -0.005 0.000 0.840 235 Q CB -0.152 28.583 28.738 -0.005 0.000 0.898 235 Q HN 0.914 nan 8.270 nan 0.000 0.430 236 Q N -1.073 118.723 119.800 -0.005 0.000 2.515 236 Q HA 0.056 4.396 4.340 -0.000 0.000 0.212 236 Q C 1.323 177.320 176.000 -0.005 0.000 0.970 236 Q CA 0.954 56.754 55.803 -0.005 0.000 0.941 236 Q CB 0.104 28.838 28.738 -0.005 0.000 0.998 236 Q HN 0.266 nan 8.270 nan 0.000 0.518 237 A N 1.837 124.654 122.820 -0.005 0.000 1.850 237 A HA -0.049 4.271 4.320 -0.000 0.000 0.212 237 A C 2.079 179.660 177.584 -0.004 0.000 1.208 237 A CA 0.940 52.974 52.037 -0.005 0.000 0.609 237 A CB -0.284 18.713 19.000 -0.005 0.000 0.860 237 A HN 0.386 nan 8.150 nan 0.000 0.448 238 R N -0.515 119.983 120.500 -0.004 0.000 2.113 238 R HA -0.166 4.174 4.340 -0.000 0.000 0.244 238 R C 1.846 178.144 176.300 -0.003 0.000 1.142 238 R CA 1.562 57.660 56.100 -0.003 0.000 0.953 238 R CB -0.923 29.375 30.300 -0.003 0.000 0.860 238 R HN 0.351 nan 8.270 nan 0.000 0.438 239 L N 0.885 122.106 121.223 -0.003 0.000 2.089 239 L HA -0.178 4.162 4.340 -0.000 0.000 0.213 239 L C 2.159 179.028 176.870 -0.003 0.000 1.079 239 L CA 1.673 56.511 54.840 -0.003 0.000 0.758 239 L CB -0.424 41.633 42.059 -0.003 0.000 0.891 239 L HN 0.221 nan 8.230 nan 0.000 0.433 240 L N -2.112 119.110 121.223 -0.003 0.000 2.131 240 L HA -0.027 4.313 4.340 -0.000 0.000 0.206 240 L C 2.428 179.297 176.870 -0.003 0.000 1.087 240 L CA 1.052 55.891 54.840 -0.003 0.000 0.767 240 L CB -1.131 40.926 42.059 -0.004 0.000 0.917 240 L HN 0.362 nan 8.230 nan 0.000 0.441 241 G N -1.105 107.693 108.800 -0.003 0.000 2.448 241 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 241 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 241 G C 1.515 176.414 174.900 -0.002 0.000 1.135 241 G CA 0.128 45.227 45.100 -0.003 0.000 0.784 241 G HN 0.313 nan 8.290 nan 0.000 0.543 242 Q N -0.569 119.230 119.800 -0.002 0.000 2.020 242 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 242 Q C 2.587 178.586 176.000 -0.001 0.000 0.974 242 Q CA 1.125 56.927 55.803 -0.002 0.000 0.829 242 Q CB -0.223 28.514 28.738 -0.002 0.000 0.894 242 Q HN 0.575 nan 8.270 nan 0.000 0.433 243 Q N -0.120 119.679 119.800 -0.002 0.000 2.082 243 Q HA -0.255 4.085 4.340 -0.000 0.000 0.211 243 Q C 2.014 178.013 176.000 -0.001 0.000 1.002 243 Q CA 2.663 58.465 55.803 -0.002 0.000 0.868 243 Q CB -0.206 28.531 28.738 -0.002 0.000 0.931 243 Q HN 0.560 nan 8.270 nan 0.000 0.414 244 T N -1.180 113.373 114.554 -0.002 0.000 2.622 244 T HA -0.217 4.133 4.350 -0.000 0.000 0.266 244 T C 1.772 176.471 174.700 -0.001 0.000 1.047 244 T CA 1.463 63.562 62.100 -0.001 0.000 1.159 244 T CB -0.578 68.289 68.868 -0.002 0.000 0.863 244 T HN 0.361 nan 8.240 nan 0.000 0.422 245 R N 1.539 122.039 120.500 -0.001 0.000 2.113 245 R HA -0.177 4.163 4.340 -0.000 0.000 0.244 245 R C 2.729 179.029 176.300 -0.000 0.000 1.142 245 R CA 1.785 57.884 56.100 -0.001 0.000 0.953 245 R CB -0.721 29.579 30.300 -0.001 0.000 0.860 245 R HN 0.468 nan 8.270 nan 0.000 0.438 246 N N 1.136 119.836 118.700 -0.000 0.000 2.036 246 N HA -0.192 4.548 4.740 -0.000 0.000 0.195 246 N C 1.096 176.607 175.510 0.001 0.000 1.037 246 N CA 2.035 55.085 53.050 0.000 0.000 0.855 246 N CB -0.471 38.017 38.487 0.000 0.000 1.033 246 N HN 0.091 nan 8.380 nan 0.000 0.423 247 D N -0.158 120.242 120.400 0.000 0.000 2.221 247 D HA -0.124 4.516 4.640 -0.000 0.000 0.204 247 D C 1.992 178.293 176.300 0.000 0.000 0.982 247 D CA 0.522 54.522 54.000 -0.000 0.000 0.857 247 D CB -0.133 40.667 40.800 -0.001 0.000 0.934 247 D HN 0.402 nan 8.370 nan 0.000 0.475 248 R N 0.485 120.985 120.500 0.000 0.000 2.055 248 R HA -0.039 4.301 4.340 -0.000 0.000 0.228 248 R C 2.146 178.447 176.300 0.001 0.000 1.143 248 R CA 1.359 57.459 56.100 0.000 0.000 0.945 248 R CB -0.263 30.037 30.300 -0.000 0.000 0.841 248 R HN 0.081 nan 8.270 nan 0.000 0.429 249 A N 1.886 124.707 122.820 0.001 0.000 1.927 249 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 249 A C 2.123 179.709 177.584 0.003 0.000 1.185 249 A CA 1.738 53.776 52.037 0.002 0.000 0.639 249 A CB -0.698 18.303 19.000 0.003 0.000 0.820 249 A HN 0.382 nan 8.150 nan 0.000 0.451 250 I N 0.424 120.995 120.570 0.002 0.000 2.145 250 I HA -0.263 3.907 4.170 -0.000 0.000 0.244 250 I C 2.660 178.778 176.117 0.002 0.000 1.075 250 I CA 2.058 63.359 61.300 0.002 0.000 1.332 250 I CB -1.766 36.235 38.000 0.002 0.000 1.033 250 I HN 0.299 nan 8.210 nan 0.000 0.410 251 S N 0.583 116.284 115.700 0.002 0.000 2.365 251 S HA -0.230 4.240 4.470 -0.000 0.000 0.221 251 S C 1.785 176.386 174.600 0.002 0.000 1.037 251 S CA 1.520 59.721 58.200 0.002 0.000 1.060 251 S CB -0.445 62.756 63.200 0.001 0.000 0.974 251 S HN 0.486 nan 8.310 nan 0.000 0.427 252 E N 1.378 121.579 120.200 0.003 0.000 2.045 252 E HA -0.278 4.072 4.350 -0.000 0.000 0.212 252 E C 2.458 179.061 176.600 0.005 0.000 1.039 252 E CA 1.337 57.739 56.400 0.003 0.000 0.860 252 E CB -0.477 29.226 29.700 0.003 0.000 0.776 252 E HN 0.509 nan 8.360 nan 0.000 0.467 253 A N 1.358 124.181 122.820 0.006 0.000 1.892 253 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 253 A C 2.141 179.729 177.584 0.007 0.000 1.188 253 A CA 2.045 54.087 52.037 0.008 0.000 0.631 253 A CB -0.696 18.309 19.000 0.009 0.000 0.822 253 A HN 0.156 nan 8.150 nan 0.000 0.447 254 R N -0.509 119.994 120.500 0.005 0.000 2.139 254 R HA -0.178 4.162 4.340 -0.000 0.000 0.243 254 R C 1.781 178.083 176.300 0.004 0.000 1.145 254 R CA 1.783 57.885 56.100 0.004 0.000 0.976 254 R CB -0.230 30.072 30.300 0.002 0.000 0.866 254 R HN 0.624 nan 8.270 nan 0.000 0.449 255 N N 0.312 119.014 118.700 0.004 0.000 2.173 255 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 255 N C 1.472 176.985 175.510 0.005 0.000 1.025 255 N CA 0.992 54.044 53.050 0.004 0.000 0.852 255 N CB -0.233 38.256 38.487 0.003 0.000 0.998 255 N HN 0.203 nan 8.380 nan 0.000 0.427 256 K N 0.829 121.234 120.400 0.007 0.000 2.152 256 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 256 K C 1.960 178.567 176.600 0.011 0.000 1.048 256 K CA 0.649 56.942 56.287 0.010 0.000 0.933 256 K CB -0.129 32.378 32.500 0.012 0.000 0.721 256 K HN 0.017 nan 8.250 nan 0.000 0.447 257 L N 0.540 121.769 121.223 0.010 0.000 2.083 257 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 257 L C 2.249 179.122 176.870 0.006 0.000 1.083 257 L CA 1.858 56.703 54.840 0.008 0.000 0.752 257 L CB -0.743 41.319 42.059 0.005 0.000 0.899 257 L HN 0.124 nan 8.230 nan 0.000 0.433 258 S N -1.088 114.615 115.700 0.005 0.000 2.344 258 S HA -0.216 4.254 4.470 -0.000 0.000 0.217 258 S C 2.099 176.701 174.600 0.004 0.000 1.033 258 S CA 1.720 59.922 58.200 0.003 0.000 1.017 258 S CB -0.610 62.591 63.200 0.003 0.000 0.941 258 S HN 0.637 nan 8.310 nan 0.000 0.430 259 S N 0.402 116.105 115.700 0.005 0.000 2.441 259 S HA -0.099 4.371 4.470 -0.000 0.000 0.242 259 S C 1.690 176.295 174.600 0.007 0.000 1.018 259 S CA 1.282 59.485 58.200 0.006 0.000 0.988 259 S CB -0.429 62.774 63.200 0.006 0.000 0.778 259 S HN 0.398 nan 8.310 nan 0.000 0.498 260 V N 0.887 120.806 119.914 0.009 0.000 2.278 260 V HA -0.099 4.021 4.120 -0.000 0.000 0.238 260 V C 2.445 178.544 176.094 0.008 0.000 1.039 260 V CA 1.873 64.180 62.300 0.012 0.000 1.017 260 V CB -1.330 30.503 31.823 0.017 0.000 0.657 260 V HN 0.403 nan 8.190 nan 0.000 0.462 261 T N -0.153 114.404 114.554 0.005 0.000 2.760 261 T HA -0.299 4.051 4.350 -0.000 0.000 0.269 261 T C 1.761 176.462 174.700 0.002 0.000 1.047 261 T CA 2.060 64.161 62.100 0.002 0.000 1.139 261 T CB -0.271 68.597 68.868 0.000 0.000 0.855 261 T HN 0.631 nan 8.240 nan 0.000 0.471 262 E N 0.713 120.914 120.200 0.003 0.000 2.023 262 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 262 E C 2.389 178.990 176.600 0.002 0.000 1.003 262 E CA 1.555 57.956 56.400 0.002 0.000 0.809 262 E CB -0.177 29.524 29.700 0.003 0.000 0.755 262 E HN 0.359 nan 8.360 nan 0.000 0.449 263 S N 0.700 116.402 115.700 0.004 0.000 2.383 263 S HA -0.176 4.294 4.470 -0.000 0.000 0.229 263 S C 1.867 176.469 174.600 0.004 0.000 1.030 263 S CA 1.029 59.231 58.200 0.004 0.000 1.002 263 S CB -0.431 62.773 63.200 0.006 0.000 0.829 263 S HN 0.331 nan 8.310 nan 0.000 0.467 264 L N 2.887 124.112 121.223 0.004 0.000 2.051 264 L HA -0.201 4.139 4.340 -0.000 0.000 0.214 264 L C 1.696 178.567 176.870 0.001 0.000 1.076 264 L CA 1.817 56.658 54.840 0.003 0.000 0.758 264 L CB -0.763 41.297 42.059 0.001 0.000 0.890 264 L HN 0.229 nan 8.230 nan 0.000 0.433 265 N N -1.150 117.550 118.700 0.001 0.000 2.171 265 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 265 N C 1.675 177.185 175.510 0.000 0.000 1.021 265 N CA 1.858 54.908 53.050 0.000 0.000 0.854 265 N CB -0.545 37.942 38.487 -0.000 0.000 0.994 265 N HN 0.437 nan 8.380 nan 0.000 0.426 266 T N 1.863 116.417 114.554 0.001 0.000 2.624 266 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 266 T C 2.044 176.745 174.700 0.001 0.000 1.041 266 T CA 1.726 63.826 62.100 0.001 0.000 1.159 266 T CB -0.473 68.395 68.868 0.001 0.000 0.863 266 T HN 0.354 nan 8.240 nan 0.000 0.434 267 A N 1.720 124.541 122.820 0.001 0.000 1.842 267 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 267 A C 2.283 179.867 177.584 0.001 0.000 1.206 267 A CA 2.241 54.279 52.037 0.002 0.000 0.630 267 A CB -0.877 18.125 19.000 0.003 0.000 0.839 267 A HN 0.448 nan 8.150 nan 0.000 0.447 268 R N -0.521 119.980 120.500 0.000 0.000 2.154 268 R HA -0.194 4.146 4.340 -0.000 0.000 0.248 268 R C 1.866 178.166 176.300 -0.001 0.000 1.155 268 R CA 1.770 57.870 56.100 -0.000 0.000 0.979 268 R CB -0.300 30.000 30.300 -0.001 0.000 0.869 268 R HN 0.617 nan 8.270 nan 0.000 0.452 269 N N 0.148 118.848 118.700 -0.001 0.000 2.135 269 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 269 N C 1.653 177.162 175.510 -0.001 0.000 1.027 269 N CA 1.394 54.443 53.050 -0.001 0.000 0.849 269 N CB -0.393 38.093 38.487 -0.001 0.000 1.002 269 N HN 0.274 nan 8.380 nan 0.000 0.425 270 A N 1.638 124.457 122.820 -0.001 0.000 1.873 270 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 270 A C 2.327 179.910 177.584 -0.001 0.000 1.193 270 A CA 1.347 53.383 52.037 -0.001 0.000 0.629 270 A CB -1.038 17.962 19.000 -0.001 0.000 0.826 270 A HN 0.262 nan 8.150 nan 0.000 0.447 271 L N -0.438 120.785 121.223 -0.001 0.000 2.042 271 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 271 L C 2.575 179.444 176.870 -0.002 0.000 1.076 271 L CA 2.736 57.575 54.840 -0.001 0.000 0.749 271 L CB -0.787 41.271 42.059 -0.000 0.000 0.893 271 L HN 0.416 nan 8.230 nan 0.000 0.432 272 T N -0.832 113.721 114.554 -0.002 0.000 2.720 272 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 272 T C 2.028 176.727 174.700 -0.003 0.000 1.037 272 T CA 1.784 63.883 62.100 -0.002 0.000 1.144 272 T CB -0.249 68.618 68.868 -0.002 0.000 0.864 272 T HN 0.326 nan 8.240 nan 0.000 0.444 273 R N 0.530 121.028 120.500 -0.003 0.000 2.075 273 R HA 0.015 4.355 4.340 -0.000 0.000 0.232 273 R C 2.587 178.884 176.300 -0.004 0.000 1.126 273 R CA 1.221 57.319 56.100 -0.004 0.000 0.963 273 R CB -0.417 29.881 30.300 -0.003 0.000 0.858 273 R HN 0.368 nan 8.270 nan 0.000 0.435 274 A N 1.313 124.131 122.820 -0.004 0.000 1.834 274 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 274 A C 1.887 179.469 177.584 -0.005 0.000 1.203 274 A CA 1.867 53.901 52.037 -0.004 0.000 0.621 274 A CB -0.807 18.191 19.000 -0.003 0.000 0.841 274 A HN 0.498 nan 8.150 nan 0.000 0.446 275 E N -0.514 119.684 120.200 -0.004 0.000 2.187 275 E HA -0.296 4.054 4.350 -0.000 0.000 0.199 275 E C 2.258 178.855 176.600 -0.005 0.000 1.004 275 E CA 1.527 57.924 56.400 -0.004 0.000 0.813 275 E CB -0.238 29.460 29.700 -0.002 0.000 0.736 275 E HN 0.731 nan 8.360 nan 0.000 0.468 276 Q N 0.491 120.288 119.800 -0.005 0.000 2.030 276 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 276 Q C 2.292 178.287 176.000 -0.009 0.000 0.986 276 Q CA 1.510 57.309 55.803 -0.007 0.000 0.843 276 Q CB -0.096 28.639 28.738 -0.006 0.000 0.904 276 Q HN 0.326 nan 8.270 nan 0.000 0.420 277 Q N 0.079 119.874 119.800 -0.008 0.000 2.030 277 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 277 Q C 2.178 178.171 176.000 -0.012 0.000 0.986 277 Q CA 1.397 57.194 55.803 -0.010 0.000 0.843 277 Q CB -0.199 28.534 28.738 -0.009 0.000 0.904 277 Q HN 0.274 nan 8.270 nan 0.000 0.420 278 L N 0.320 121.537 121.223 -0.010 0.000 1.990 278 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 278 L C 2.163 179.024 176.870 -0.015 0.000 1.072 278 L CA 2.249 57.083 54.840 -0.011 0.000 0.755 278 L CB -0.986 41.069 42.059 -0.008 0.000 0.889 278 L HN 0.187 nan 8.230 nan 0.000 0.432 279 T N -0.704 113.842 114.554 -0.014 0.000 2.665 279 T HA -0.275 4.075 4.350 -0.000 0.000 0.268 279 T C 1.793 176.478 174.700 -0.025 0.000 1.035 279 T CA 1.891 63.980 62.100 -0.017 0.000 1.151 279 T CB -0.267 68.593 68.868 -0.014 0.000 0.862 279 T HN 0.495 nan 8.240 nan 0.000 0.438 280 Q N 0.391 120.178 119.800 -0.022 0.000 2.029 280 Q HA -0.187 4.153 4.340 -0.000 0.000 0.209 280 Q C 2.658 178.639 176.000 -0.032 0.000 0.999 280 Q CA 1.403 57.191 55.803 -0.026 0.000 0.857 280 Q CB -0.179 28.546 28.738 -0.021 0.000 0.926 280 Q HN 0.413 nan 8.270 nan 0.000 0.415 281 Q N 0.420 120.203 119.800 -0.028 0.000 2.291 281 Q HA -0.087 4.253 4.340 -0.000 0.000 0.206 281 Q C 1.409 177.386 176.000 -0.039 0.000 0.976 281 Q CA 1.103 56.888 55.803 -0.030 0.000 0.875 281 Q CB -0.035 28.690 28.738 -0.022 0.000 0.927 281 Q HN 0.319 nan 8.270 nan 0.000 0.450 282 K N 0.290 120.667 120.400 -0.039 0.000 2.459 282 K HA 0.043 4.363 4.320 -0.000 0.000 0.193 282 K C 0.688 177.240 176.600 -0.080 0.000 1.030 282 K CA 0.167 56.425 56.287 -0.048 0.000 1.026 282 K CB 0.378 32.859 32.500 -0.033 0.000 0.809 282 K HN 0.117 nan 8.250 nan 0.000 0.504 283 N N 0.317 118.969 118.700 -0.081 0.000 2.184 283 N HA 0.009 4.749 4.740 -0.000 0.000 0.206 283 N C -0.343 175.093 175.510 -0.123 0.000 1.151 283 N CA 0.187 53.168 53.050 -0.114 0.000 0.878 283 N CB 0.846 39.282 38.487 -0.086 0.000 1.014 283 N HN -0.061 nan 8.380 nan 0.000 0.512 284 T N 2.919 117.415 114.554 -0.097 0.000 2.940 284 T HA 0.021 4.371 4.350 -0.000 0.000 0.309 284 T C -1.151 173.478 174.700 -0.117 0.000 1.056 284 T CA -0.816 61.233 62.100 -0.084 0.000 1.137 284 T CB 1.350 70.181 68.868 -0.061 0.000 0.976 284 T HN 0.110 nan 8.240 nan 0.000 0.547 285 P HA -0.209 nan 4.420 nan 0.000 0.215 285 P C 1.037 178.274 177.300 -0.104 0.000 1.163 285 P CA 1.529 64.561 63.100 -0.114 0.000 0.894 285 P CB 0.183 31.847 31.700 -0.061 0.000 0.791 286 D N -0.348 120.013 120.400 -0.066 0.000 2.117 286 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 286 D C 2.389 178.656 176.300 -0.054 0.000 0.982 286 D CA 1.539 55.513 54.000 -0.044 0.000 0.828 286 D CB -0.812 39.969 40.800 -0.031 0.000 0.967 286 D HN 0.226 nan 8.370 nan 0.000 0.464 287 G N 1.991 110.749 108.800 -0.070 0.000 2.553 287 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 287 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 287 G C 1.616 176.463 174.900 -0.088 0.000 1.195 287 G CA 1.047 46.105 45.100 -0.069 0.000 0.779 287 G HN 0.266 nan 8.290 nan 0.000 0.577 288 K N -0.263 120.032 120.400 -0.175 0.000 2.089 288 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 288 K C 2.727 179.289 176.600 -0.064 0.000 1.048 288 K CA 1.761 57.895 56.287 -0.256 0.000 0.926 288 K CB -0.476 31.570 32.500 -0.755 0.000 0.714 288 K HN 0.287 nan 8.250 nan 0.000 0.448 289 T N 1.658 116.203 114.554 -0.016 0.000 2.788 289 T HA -0.097 4.252 4.350 -0.000 0.000 0.268 289 T C 1.804 176.538 174.700 0.057 0.000 1.044 289 T CA 0.939 63.083 62.100 0.072 0.000 1.139 289 T CB -0.085 68.822 68.868 0.064 0.000 0.867 289 T HN 0.071 nan 8.240 nan 0.000 0.454 290 I N 1.082 121.666 120.570 0.024 0.000 2.226 290 I HA -0.098 4.072 4.170 -0.000 0.000 0.245 290 I C 2.529 178.667 176.117 0.035 0.000 1.100 290 I CA 1.034 62.349 61.300 0.026 0.000 1.374 290 I CB -1.375 36.630 38.000 0.009 0.000 1.057 290 I HN 0.127 nan 8.210 nan 0.000 0.413 291 V N 0.836 120.767 119.914 0.028 0.000 2.490 291 V HA -0.123 3.997 4.120 -0.000 0.000 0.250 291 V C 0.682 176.823 176.094 0.078 0.000 1.061 291 V CA 1.457 63.782 62.300 0.041 0.000 1.064 291 V CB -0.586 31.252 31.823 0.025 0.000 0.670 291 V HN 0.638 nan 8.190 nan 0.000 0.461 292 S N -3.122 112.646 115.700 0.113 0.000 2.461 292 S HA 0.361 4.831 4.470 -0.000 0.000 0.245 292 S C -2.358 172.335 174.600 0.155 0.000 1.039 292 S CA -0.869 57.415 58.200 0.140 0.000 1.077 292 S CB 1.733 65.047 63.200 0.190 0.000 1.171 292 S HN -0.018 nan 8.310 nan 0.000 0.433 293 P HA -0.149 nan 4.420 nan 0.000 0.214 293 P C 1.745 179.099 177.300 0.089 0.000 1.162 293 P CA 1.330 64.491 63.100 0.101 0.000 0.879 293 P CB 0.153 31.903 31.700 0.084 0.000 0.786 294 E N 0.760 120.996 120.200 0.061 0.000 2.047 294 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 294 E C 1.994 178.580 176.600 -0.024 0.000 0.987 294 E CA 1.321 57.735 56.400 0.024 0.000 0.799 294 E CB -1.020 28.689 29.700 0.015 0.000 0.752 294 E HN 0.231 nan 8.360 nan 0.000 0.449 295 K N -0.103 120.276 120.400 -0.034 0.000 2.211 295 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 295 K C -0.281 176.036 176.600 -0.471 0.000 1.050 295 K CA 0.733 56.889 56.287 -0.218 0.000 0.945 295 K CB 0.118 32.534 32.500 -0.140 0.000 0.732 295 K HN 0.037 nan 8.250 nan 0.000 0.451 296 F N 1.481 121.439 119.950 0.014 0.000 3.094 296 F HA 0.287 4.814 4.527 -0.000 0.000 0.385 296 F C -2.461 173.348 175.800 0.014 0.000 1.231 296 F CA -2.416 55.591 58.000 0.012 0.000 1.207 296 F CB 1.661 40.667 39.000 0.009 0.000 1.703 296 F HN -0.089 nan 8.300 nan 0.000 0.610 297 P HA 0.112 nan 4.420 nan 0.000 0.268 297 P C 0.195 177.556 177.300 0.101 0.000 1.204 297 P CA 0.155 63.318 63.100 0.105 0.000 0.768 297 P CB 1.180 32.921 31.700 0.068 0.000 0.842 298 G N 4.043 112.889 108.800 0.078 0.000 2.329 298 G HA2 0.479 4.439 3.960 -0.000 0.000 0.309 298 G HA3 0.479 4.439 3.960 -0.000 0.000 0.309 298 G C -0.055 174.857 174.900 0.020 0.000 1.110 298 G CA -0.679 44.449 45.100 0.047 0.000 0.923 298 G HN 0.466 nan 8.290 nan 0.000 0.430 299 R N 0.819 121.318 120.500 -0.002 0.000 2.892 299 R HA 0.871 5.211 4.340 -0.000 0.000 0.265 299 R C -1.014 175.245 176.300 -0.070 0.000 1.025 299 R CA -1.042 55.032 56.100 -0.042 0.000 0.982 299 R CB 2.184 32.466 30.300 -0.029 0.000 1.185 299 R HN 0.415 nan 8.270 nan 0.000 0.484 300 S N -0.054 115.575 115.700 -0.119 0.000 2.560 300 S HA 0.498 4.968 4.470 -0.000 0.000 0.283 300 S C -1.734 172.770 174.600 -0.159 0.000 1.141 300 S CA -0.534 57.592 58.200 -0.124 0.000 0.902 300 S CB 1.678 64.799 63.200 -0.131 0.000 1.104 300 S HN 0.612 nan 8.310 nan 0.000 0.454 301 S N 1.657 117.286 115.700 -0.118 0.000 2.550 301 S HA 0.848 5.318 4.470 -0.000 0.000 0.270 301 S C -1.269 173.279 174.600 -0.086 0.000 1.145 301 S CA -0.774 57.355 58.200 -0.117 0.000 0.852 301 S CB 2.006 65.148 63.200 -0.096 0.000 1.119 301 S HN 1.041 nan 8.310 nan 0.000 0.465 302 T N -0.087 114.417 114.554 -0.083 0.000 2.971 302 T HA 0.523 4.873 4.350 -0.000 0.000 0.304 302 T C -1.336 173.336 174.700 -0.047 0.000 1.038 302 T CA -0.952 61.113 62.100 -0.059 0.000 1.007 302 T CB 0.920 69.752 68.868 -0.060 0.000 1.055 302 T HN 0.397 nan 8.240 nan 0.000 0.451 303 N N 3.444 122.124 118.700 -0.033 0.000 2.458 303 N HA 0.319 5.059 4.740 -0.000 0.000 0.270 303 N C -1.047 174.452 175.510 -0.018 0.000 1.102 303 N CA -0.136 52.900 53.050 -0.023 0.000 0.967 303 N CB 1.099 39.576 38.487 -0.017 0.000 1.078 303 N HN 0.667 nan 8.380 nan 0.000 0.471 304 D N -0.000 120.392 120.400 -0.013 0.000 2.481 304 D HA 0.111 4.751 4.640 -0.000 0.000 0.244 304 D C -0.344 175.956 176.300 -0.000 0.000 1.057 304 D CA -0.354 53.642 54.000 -0.007 0.000 0.848 304 D CB 1.766 42.562 40.800 -0.006 0.000 1.388 304 D HN 0.200 nan 8.370 nan 0.000 0.475 305 S N 1.873 117.575 115.700 0.003 0.000 2.468 305 S HA 0.366 4.836 4.470 -0.000 0.000 0.190 305 S C -0.113 174.493 174.600 0.011 0.000 1.445 305 S CA -0.710 57.494 58.200 0.007 0.000 1.084 305 S CB -0.804 62.400 63.200 0.006 0.000 1.175 305 S HN 0.291 nan 8.310 nan 0.000 0.484 306 I N 3.306 123.884 120.570 0.014 0.000 2.529 306 I HA 0.321 4.491 4.170 -0.000 0.000 0.284 306 I C -0.118 176.013 176.117 0.022 0.000 1.082 306 I CA -0.649 60.661 61.300 0.018 0.000 1.406 306 I CB 1.260 39.272 38.000 0.021 0.000 1.405 306 I HN 0.171 nan 8.210 nan 0.000 0.548 307 V N 6.740 126.668 119.914 0.023 0.000 2.628 307 V HA 0.459 4.579 4.120 -0.000 0.000 0.306 307 V C 0.108 176.221 176.094 0.033 0.000 1.045 307 V CA -0.614 61.703 62.300 0.027 0.000 0.905 307 V CB 2.205 34.042 31.823 0.023 0.000 0.997 307 V HN 0.451 nan 8.190 nan 0.000 0.436 308 V N 3.054 122.993 119.914 0.042 0.000 2.994 308 V HA 0.876 4.995 4.120 -0.000 0.000 0.318 308 V C 0.115 176.241 176.094 0.054 0.000 1.085 308 V CA -0.279 62.052 62.300 0.053 0.000 0.998 308 V CB 2.136 34.006 31.823 0.077 0.000 1.063 308 V HN 1.071 nan 8.190 nan 0.000 0.447 309 S N -0.130 115.604 115.700 0.057 0.000 2.819 309 S HA 0.932 5.402 4.470 -0.000 0.000 0.299 309 S C 0.364 175.000 174.600 0.059 0.000 1.192 309 S CA 0.160 58.389 58.200 0.049 0.000 0.847 309 S CB 1.296 64.517 63.200 0.036 0.000 1.224 309 S HN 2.166 nan 8.310 nan 0.000 0.537 310 G N 1.435 110.262 108.800 0.045 0.000 2.687 310 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.303 310 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.303 310 G C -0.245 174.685 174.900 0.049 0.000 1.209 310 G CA 0.498 45.626 45.100 0.046 0.000 0.968 310 G HN 1.146 nan 8.290 nan 0.000 0.549 311 D N 3.861 124.308 120.400 0.079 0.000 2.426 311 D HA 0.222 4.862 4.640 -0.000 0.000 0.261 311 D C -0.047 176.257 176.300 0.007 0.000 1.245 311 D CA -0.749 53.289 54.000 0.062 0.000 0.917 311 D CB 1.052 41.953 40.800 0.168 0.000 1.123 311 D HN 0.181 nan 8.370 nan 0.000 0.508 312 P HA -0.137 nan 4.420 nan 0.000 0.223 312 P C 0.931 178.139 177.300 -0.152 0.000 1.144 312 P CA 0.744 63.803 63.100 -0.068 0.000 0.783 312 P CB 0.348 32.012 31.700 -0.060 0.000 0.771 313 R N -1.623 118.682 120.500 -0.326 0.000 2.193 313 R HA 0.077 4.416 4.340 -0.000 0.000 0.213 313 R C 1.175 177.091 176.300 -0.640 0.000 1.055 313 R CA 1.015 56.766 56.100 -0.582 0.000 0.995 313 R CB -0.290 29.458 30.300 -0.920 0.000 0.893 313 R HN 0.257 nan 8.270 nan 0.000 0.459 314 F N -1.105 118.848 119.950 0.004 0.000 2.798 314 F HA 0.413 4.939 4.527 -0.000 0.000 0.328 314 F C 0.463 176.266 175.800 0.006 0.000 1.098 314 F CA -1.109 56.894 58.000 0.006 0.000 1.172 314 F CB 0.091 39.094 39.000 0.006 0.000 1.072 314 F HN -0.203 nan 8.300 nan 0.000 0.555 315 A N 1.166 124.060 122.820 0.123 0.000 2.515 315 A HA 0.560 4.880 4.320 -0.000 0.000 0.263 315 A C 0.811 178.433 177.584 0.064 0.000 1.096 315 A CA 1.147 53.235 52.037 0.085 0.000 0.769 315 A CB -0.774 18.252 19.000 0.044 0.000 1.040 315 A HN 0.556 nan 8.150 nan 0.000 0.505 316 G N 0.571 109.410 108.800 0.065 0.000 2.565 316 G HA2 0.528 4.488 3.960 -0.000 0.000 0.142 316 G HA3 0.528 4.488 3.960 -0.000 0.000 0.142 316 G C -0.765 174.160 174.900 0.041 0.000 1.181 316 G CA 0.261 45.389 45.100 0.048 0.000 1.066 316 G HN 0.862 nan 8.290 nan 0.000 0.530 317 T N 1.386 115.962 114.554 0.037 0.000 3.176 317 T HA 0.422 4.772 4.350 -0.000 0.000 0.337 317 T C -0.316 174.401 174.700 0.029 0.000 0.957 317 T CA -0.205 61.913 62.100 0.029 0.000 1.092 317 T CB 0.498 69.379 68.868 0.022 0.000 1.018 317 T HN 0.490 nan 8.240 nan 0.000 0.473 318 I N 2.819 123.408 120.570 0.031 0.000 2.471 318 I HA 0.272 4.442 4.170 -0.000 0.000 0.286 318 I C 0.679 176.809 176.117 0.021 0.000 1.079 318 I CA -0.159 61.158 61.300 0.029 0.000 1.398 318 I CB 0.704 38.721 38.000 0.029 0.000 1.403 318 I HN 0.256 nan 8.210 nan 0.000 0.530 319 K N 8.101 128.512 120.400 0.018 0.000 2.419 319 K HA 0.466 4.786 4.320 -0.000 0.000 0.244 319 K C -0.404 176.202 176.600 0.010 0.000 1.045 319 K CA -0.304 55.990 56.287 0.012 0.000 1.004 319 K CB 0.776 33.282 32.500 0.011 0.000 1.376 319 K HN 0.551 nan 8.250 nan 0.000 0.460 320 I N -1.886 118.689 120.570 0.008 0.000 3.449 320 I HA 0.588 4.758 4.170 -0.000 0.000 0.294 320 I C -0.479 175.636 176.117 -0.003 0.000 1.163 320 I CA -0.856 60.447 61.300 0.006 0.000 1.010 320 I CB 2.252 40.258 38.000 0.010 0.000 1.307 320 I HN 0.047 nan 8.210 nan 0.000 0.518 321 T N 0.700 115.250 114.554 -0.008 0.000 2.985 321 T HA 0.295 4.645 4.350 -0.000 0.000 0.315 321 T C -0.324 174.357 174.700 -0.032 0.000 1.001 321 T CA -0.599 61.489 62.100 -0.020 0.000 1.016 321 T CB 0.741 69.597 68.868 -0.019 0.000 0.993 321 T HN 0.813 nan 8.240 nan 0.000 0.454 322 T N 0.737 115.262 114.554 -0.048 0.000 2.738 322 T HA 0.470 4.820 4.350 -0.000 0.000 0.293 322 T C 0.369 174.994 174.700 -0.125 0.000 0.913 322 T CA -0.549 61.505 62.100 -0.076 0.000 1.103 322 T CB 0.734 69.549 68.868 -0.087 0.000 0.880 322 T HN 0.434 nan 8.240 nan 0.000 0.526 323 S N 2.074 117.698 115.700 -0.126 0.000 2.593 323 S HA 0.810 5.280 4.470 -0.000 0.000 0.297 323 S C -0.667 173.761 174.600 -0.285 0.000 1.112 323 S CA -0.485 57.617 58.200 -0.163 0.000 1.043 323 S CB 0.918 64.066 63.200 -0.086 0.000 1.054 323 S HN 1.308 nan 8.310 nan 0.000 0.516 324 A N 2.062 124.649 122.820 -0.387 0.000 2.547 324 A HA 0.738 5.058 4.320 -0.000 0.000 0.297 324 A C -0.989 176.391 177.584 -0.341 0.000 1.056 324 A CA -0.505 51.111 52.037 -0.701 0.000 0.688 324 A CB 1.307 19.431 19.000 -1.459 0.000 1.282 324 A HN 1.735 nan 8.150 nan 0.000 0.400 325 V N -0.465 119.389 119.914 -0.100 0.000 2.932 325 V HA 0.800 4.920 4.120 -0.000 0.000 0.307 325 V C -1.286 174.922 176.094 0.191 0.000 1.147 325 V CA -0.832 61.492 62.300 0.040 0.000 0.951 325 V CB 1.864 33.719 31.823 0.055 0.000 1.031 325 V HN 0.742 nan 8.190 nan 0.000 0.426 326 I N 3.931 124.582 120.570 0.136 0.000 2.436 326 I HA 0.627 4.797 4.170 -0.000 0.000 0.289 326 I C -0.671 175.515 176.117 0.114 0.000 1.010 326 I CA 0.004 61.393 61.300 0.148 0.000 1.098 326 I CB 1.887 39.946 38.000 0.099 0.000 1.266 326 I HN 1.102 nan 8.210 nan 0.000 0.434 327 D N 3.778 124.248 120.400 0.116 0.000 2.785 327 D HA 0.168 4.808 4.640 -0.000 0.000 0.324 327 D C -0.360 175.987 176.300 0.079 0.000 1.523 327 D CA -0.284 53.770 54.000 0.089 0.000 0.789 327 D CB 0.138 40.983 40.800 0.076 0.000 1.171 327 D HN 0.346 nan 8.370 nan 0.000 0.447 328 N N 0.274 119.027 118.700 0.089 0.000 2.431 328 N HA 0.189 4.929 4.740 -0.000 0.000 0.275 328 N C 0.589 176.149 175.510 0.084 0.000 1.091 328 N CA -0.407 52.690 53.050 0.077 0.000 0.922 328 N CB 2.002 40.533 38.487 0.073 0.000 1.666 328 N HN -0.276 nan 8.380 nan 0.000 0.484 329 R N 1.859 122.402 120.500 0.071 0.000 2.094 329 R HA -0.098 4.242 4.340 -0.000 0.000 0.239 329 R C 1.606 177.959 176.300 0.088 0.000 1.137 329 R CA 1.971 58.115 56.100 0.073 0.000 0.943 329 R CB -1.257 29.078 30.300 0.059 0.000 0.850 329 R HN 0.742 nan 8.270 nan 0.000 0.433 330 A N 2.052 124.921 122.820 0.082 0.000 1.869 330 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 330 A C 1.927 179.598 177.584 0.144 0.000 1.203 330 A CA 2.182 54.276 52.037 0.095 0.000 0.638 330 A CB -0.698 18.339 19.000 0.061 0.000 0.831 330 A HN 0.376 nan 8.150 nan 0.000 0.450 331 N N -0.332 118.456 118.700 0.147 0.000 2.142 331 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 331 N C 1.661 177.315 175.510 0.239 0.000 1.023 331 N CA 1.520 54.716 53.050 0.243 0.000 0.852 331 N CB -0.704 37.944 38.487 0.269 0.000 0.998 331 N HN 0.449 nan 8.380 nan 0.000 0.424 332 L N 2.072 123.385 121.223 0.150 0.000 2.013 332 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 332 L C 1.651 178.593 176.870 0.119 0.000 1.073 332 L CA 1.747 56.651 54.840 0.105 0.000 0.753 332 L CB -0.964 41.144 42.059 0.082 0.000 0.890 332 L HN 0.096 nan 8.230 nan 0.000 0.432 333 N N -1.105 117.675 118.700 0.134 0.000 2.043 333 N HA -0.278 4.462 4.740 -0.000 0.000 0.193 333 N C 1.925 177.537 175.510 0.171 0.000 1.037 333 N CA 1.955 55.078 53.050 0.123 0.000 0.851 333 N CB -0.644 37.908 38.487 0.109 0.000 1.027 333 N HN 0.504 nan 8.380 nan 0.000 0.422 334 Y N 1.639 122.025 120.300 0.143 0.000 2.069 334 Y HA -0.264 4.286 4.550 -0.000 0.000 0.278 334 Y C 2.443 178.506 175.900 0.272 0.000 1.175 334 Y CA 1.454 59.688 58.100 0.224 0.000 1.134 334 Y CB -0.692 37.851 38.460 0.139 0.000 0.965 334 Y HN -0.011 nan 8.280 nan 0.000 0.498 335 L N 0.109 121.550 121.223 0.364 0.000 1.944 335 L HA -0.293 4.047 4.340 -0.000 0.000 0.218 335 L C 2.372 179.306 176.870 0.106 0.000 1.075 335 L CA 2.116 57.062 54.840 0.177 0.000 0.767 335 L CB -1.187 40.845 42.059 -0.044 0.000 0.890 335 L HN 0.367 nan 8.230 nan 0.000 0.434 336 L N -0.718 120.545 121.223 0.066 0.000 2.211 336 L HA -0.237 4.103 4.340 -0.000 0.000 0.216 336 L C 1.858 178.722 176.870 -0.011 0.000 1.092 336 L CA 1.527 56.383 54.840 0.027 0.000 0.767 336 L CB -0.950 41.122 42.059 0.022 0.000 0.894 336 L HN 0.550 nan 8.230 nan 0.000 0.437 337 S N -2.939 112.744 115.700 -0.027 0.000 2.574 337 S HA 0.288 4.757 4.470 -0.000 0.000 0.242 337 S C 0.061 174.396 174.600 -0.441 0.000 0.982 337 S CA -0.634 57.453 58.200 -0.189 0.000 0.977 337 S CB -0.074 62.998 63.200 -0.213 0.000 0.814 337 S HN 0.471 nan 8.310 nan 0.000 0.464 338 H N -0.495 118.490 119.070 -0.142 0.000 3.054 338 H HA 0.625 5.180 4.556 -0.000 0.000 0.271 338 H C -0.682 174.648 175.328 0.003 0.000 1.551 338 H CA -0.522 55.458 56.048 -0.112 0.000 1.196 338 H CB 0.865 30.504 29.762 -0.205 0.000 1.867 338 H HN 0.177 nan 8.280 nan 0.000 0.637 339 S N -1.099 114.732 115.700 0.217 0.000 2.713 339 S HA 0.412 4.882 4.470 -0.000 0.000 0.283 339 S C 1.356 176.059 174.600 0.172 0.000 1.161 339 S CA 0.007 58.295 58.200 0.147 0.000 0.999 339 S CB 0.933 64.201 63.200 0.114 0.000 1.039 339 S HN 0.751 nan 8.310 nan 0.000 0.548 340 G N 1.292 110.182 108.800 0.151 0.000 2.404 340 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.214 340 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.214 340 G C 1.284 176.261 174.900 0.129 0.000 1.189 340 G CA 0.853 46.078 45.100 0.207 0.000 0.789 340 G HN 0.638 nan 8.290 nan 0.000 0.533 341 L N 1.051 122.328 121.223 0.090 0.000 2.051 341 L HA -0.146 4.194 4.340 -0.000 0.000 0.214 341 L C 2.127 179.019 176.870 0.037 0.000 1.076 341 L CA 2.734 57.591 54.840 0.029 0.000 0.758 341 L CB -0.599 41.482 42.059 0.036 0.000 0.890 341 L HN 0.290 nan 8.230 nan 0.000 0.433 342 D N -1.668 118.784 120.400 0.087 0.000 2.078 342 D HA -0.306 4.334 4.640 -0.000 0.000 0.193 342 D C 2.147 178.469 176.300 0.036 0.000 0.990 342 D CA 1.770 55.832 54.000 0.103 0.000 0.827 342 D CB -0.346 40.575 40.800 0.201 0.000 0.975 342 D HN 0.519 nan 8.370 nan 0.000 0.451 343 Y N 1.604 121.860 120.300 -0.074 0.000 2.102 343 Y HA -0.308 4.241 4.550 -0.000 0.000 0.280 343 Y C 2.421 178.033 175.900 -0.481 0.000 1.178 343 Y CA 2.671 60.588 58.100 -0.305 0.000 1.146 343 Y CB -0.291 37.938 38.460 -0.385 0.000 0.968 343 Y HN -0.099 nan 8.280 nan 0.000 0.504 344 K N 0.663 120.873 120.400 -0.317 0.000 2.103 344 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 344 K C 2.244 178.744 176.600 -0.168 0.000 1.048 344 K CA 1.946 58.059 56.287 -0.290 0.000 0.930 344 K CB -0.355 32.076 32.500 -0.116 0.000 0.716 344 K HN 0.348 nan 8.250 nan 0.000 0.444 345 R N -0.766 119.669 120.500 -0.109 0.000 2.300 345 R HA 0.156 4.496 4.340 -0.000 0.000 0.199 345 R C 0.551 176.765 176.300 -0.144 0.000 0.920 345 R CA 0.833 56.900 56.100 -0.056 0.000 1.046 345 R CB 0.128 30.446 30.300 0.030 0.000 0.984 345 R HN 0.311 nan 8.270 nan 0.000 0.493 346 N N -1.267 117.265 118.700 -0.281 0.000 2.145 346 N HA 0.120 4.860 4.740 -0.000 0.000 0.219 346 N C 0.457 175.623 175.510 -0.573 0.000 1.266 346 N CA -0.246 52.592 53.050 -0.354 0.000 0.902 346 N CB 0.885 39.206 38.487 -0.276 0.000 1.078 346 N HN 0.020 nan 8.380 nan 0.000 0.513 347 I N 0.193 120.296 120.570 -0.778 0.000 3.883 347 I HA 0.144 4.314 4.170 -0.000 0.000 0.305 347 I C 1.423 177.174 176.117 -0.609 0.000 1.247 347 I CA 0.656 61.426 61.300 -0.882 0.000 1.350 347 I CB -0.144 36.934 38.000 -1.538 0.000 1.194 347 I HN 0.096 nan 8.210 nan 0.000 0.441 348 L N 0.348 121.247 121.223 -0.540 0.000 2.463 348 L HA 0.181 4.521 4.340 -0.000 0.000 0.219 348 L C 0.329 177.092 176.870 -0.180 0.000 1.088 348 L CA 0.243 54.907 54.840 -0.294 0.000 0.849 348 L CB 0.028 41.959 42.059 -0.214 0.000 1.012 348 L HN 0.246 nan 8.230 nan 0.000 0.468 349 N N 0.281 118.867 118.700 -0.191 0.000 2.776 349 N HA -0.170 4.570 4.740 -0.000 0.000 0.250 349 N C -0.587 174.890 175.510 -0.055 0.000 1.112 349 N CA 0.760 53.740 53.050 -0.116 0.000 0.733 349 N CB -1.284 37.138 38.487 -0.109 0.000 1.097 349 N HN 0.273 nan 8.380 nan 0.000 0.558 350 D N 0.449 120.838 120.400 -0.019 0.000 2.483 350 D HA 0.187 4.827 4.640 -0.000 0.000 0.220 350 D C 1.405 177.761 176.300 0.094 0.000 1.173 350 D CA -0.110 53.925 54.000 0.057 0.000 0.964 350 D CB 0.522 41.410 40.800 0.147 0.000 1.046 350 D HN 0.304 nan 8.370 nan 0.000 0.517 351 R N 0.907 121.411 120.500 0.008 0.000 2.051 351 R HA 0.044 4.384 4.340 -0.000 0.000 0.218 351 R C 0.793 177.028 176.300 -0.108 0.000 1.188 351 R CA 0.024 56.120 56.100 -0.007 0.000 0.992 351 R CB -0.082 30.204 30.300 -0.025 0.000 0.883 351 R HN 0.090 nan 8.270 nan 0.000 0.444 352 N N 2.453 121.068 118.700 -0.141 0.000 2.420 352 N HA 0.034 4.774 4.740 -0.000 0.000 0.262 352 N C -1.771 173.521 175.510 -0.363 0.000 1.144 352 N CA -1.790 51.139 53.050 -0.202 0.000 0.952 352 N CB 1.156 39.565 38.487 -0.130 0.000 1.081 352 N HN -0.060 nan 8.380 nan 0.000 0.480 353 P HA -0.108 nan 4.420 nan 0.000 0.218 353 P C -0.117 176.980 177.300 -0.338 0.000 1.149 353 P CA 0.672 63.304 63.100 -0.779 0.000 0.817 353 P CB 0.221 31.474 31.700 -0.745 0.000 0.785 354 V N 1.672 121.450 119.914 -0.227 0.000 2.397 354 V HA 0.015 4.134 4.120 -0.000 0.000 0.262 354 V C 1.677 177.698 176.094 -0.122 0.000 1.047 354 V CA 0.283 62.495 62.300 -0.148 0.000 1.003 354 V CB 0.867 32.621 31.823 -0.115 0.000 1.037 354 V HN -0.124 nan 8.190 nan 0.000 0.480 355 V N 3.186 123.036 119.914 -0.106 0.000 3.570 355 V HA 0.139 4.259 4.120 -0.000 0.000 0.257 355 V C 0.989 177.042 176.094 -0.068 0.000 1.272 355 V CA 1.052 63.306 62.300 -0.076 0.000 1.079 355 V CB 0.315 32.105 31.823 -0.056 0.000 0.829 355 V HN 0.941 nan 8.190 nan 0.000 0.454 356 T N -2.984 111.515 114.554 -0.091 0.000 2.669 356 T HA 0.435 4.785 4.350 -0.000 0.000 0.283 356 T C 0.394 175.013 174.700 -0.135 0.000 1.019 356 T CA -0.394 61.649 62.100 -0.096 0.000 1.039 356 T CB 1.912 70.720 68.868 -0.100 0.000 1.374 356 T HN -0.075 nan 8.240 nan 0.000 0.523 357 E N 0.444 120.561 120.200 -0.138 0.000 2.347 357 E HA 0.059 4.409 4.350 -0.000 0.000 0.196 357 E C 0.274 176.612 176.600 -0.435 0.000 1.008 357 E CA 0.532 56.846 56.400 -0.144 0.000 0.852 357 E CB -0.089 29.642 29.700 0.051 0.000 0.783 357 E HN 0.583 nan 8.360 nan 0.000 0.505 358 D N 0.320 120.300 120.400 -0.700 0.000 2.483 358 D HA 0.023 4.663 4.640 -0.000 0.000 0.220 358 D C 0.889 176.944 176.300 -0.409 0.000 1.173 358 D CA -0.107 53.320 54.000 -0.956 0.000 0.964 358 D CB 0.497 40.691 40.800 -1.010 0.000 1.046 358 D HN -0.184 nan 8.370 nan 0.000 0.517 359 V N 3.390 123.143 119.914 -0.269 0.000 2.233 359 V HA -0.241 3.878 4.120 -0.000 0.000 0.247 359 V C 2.382 178.416 176.094 -0.099 0.000 1.050 359 V CA 1.797 64.013 62.300 -0.140 0.000 1.010 359 V CB -0.513 31.263 31.823 -0.079 0.000 0.637 359 V HN 0.572 nan 8.190 nan 0.000 0.444 360 E N 0.081 120.237 120.200 -0.072 0.000 2.033 360 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 360 E C 2.287 178.869 176.600 -0.030 0.000 1.011 360 E CA 1.730 58.114 56.400 -0.027 0.000 0.815 360 E CB -0.623 29.080 29.700 0.005 0.000 0.755 360 E HN 0.588 nan 8.360 nan 0.000 0.451 361 G N 0.678 109.445 108.800 -0.056 0.000 2.491 361 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 361 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 361 G C 1.129 176.010 174.900 -0.033 0.000 1.180 361 G CA 1.273 46.349 45.100 -0.039 0.000 0.774 361 G HN 0.259 nan 8.290 nan 0.000 0.562 362 D N 0.377 120.733 120.400 -0.073 0.000 2.182 362 D HA -0.037 4.603 4.640 -0.000 0.000 0.201 362 D C 2.535 178.831 176.300 -0.007 0.000 0.986 362 D CA 0.876 54.845 54.000 -0.051 0.000 0.847 362 D CB -0.058 40.682 40.800 -0.101 0.000 0.942 362 D HN 0.349 nan 8.370 nan 0.000 0.467 363 K N 0.299 120.694 120.400 -0.008 0.000 2.062 363 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 363 K C 2.042 178.703 176.600 0.101 0.000 1.051 363 K CA 0.735 57.046 56.287 0.041 0.000 0.941 363 K CB 0.101 32.612 32.500 0.019 0.000 0.719 363 K HN 0.035 nan 8.250 nan 0.000 0.440 364 K N 0.892 121.329 120.400 0.061 0.000 2.057 364 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 364 K C 2.111 178.756 176.600 0.075 0.000 1.049 364 K CA 1.196 57.520 56.287 0.061 0.000 0.931 364 K CB -0.138 32.384 32.500 0.037 0.000 0.714 364 K HN 0.091 nan 8.250 nan 0.000 0.440 365 I N 0.138 120.754 120.570 0.076 0.000 2.127 365 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 365 I C 2.355 178.552 176.117 0.134 0.000 1.075 365 I CA 1.346 62.695 61.300 0.081 0.000 1.334 365 I CB -0.393 37.648 38.000 0.068 0.000 1.040 365 I HN 0.139 nan 8.210 nan 0.000 0.405 366 Y N 2.689 123.003 120.300 0.024 0.000 2.014 366 Y HA -0.384 4.166 4.550 -0.000 0.000 0.272 366 Y C 2.532 178.466 175.900 0.057 0.000 1.164 366 Y CA 1.994 60.121 58.100 0.045 0.000 1.114 366 Y CB -0.762 37.719 38.460 0.035 0.000 0.961 366 Y HN 0.228 nan 8.280 nan 0.000 0.489 367 N N 0.368 119.147 118.700 0.133 0.000 2.133 367 N HA -0.278 4.462 4.740 -0.000 0.000 0.193 367 N C 1.916 177.413 175.510 -0.021 0.000 1.012 367 N CA 1.687 54.744 53.050 0.012 0.000 0.871 367 N CB -0.802 37.723 38.487 0.064 0.000 1.011 367 N HN 0.569 nan 8.380 nan 0.000 0.435 368 A N 1.571 124.397 122.820 0.010 0.000 1.873 368 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 368 A C 2.101 179.664 177.584 -0.035 0.000 1.186 368 A CA 1.318 53.350 52.037 -0.008 0.000 0.616 368 A CB -0.526 18.477 19.000 0.006 0.000 0.823 368 A HN 0.341 nan 8.150 nan 0.000 0.442 369 E N -0.280 119.910 120.200 -0.015 0.000 2.130 369 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 369 E C 1.947 178.545 176.600 -0.004 0.000 0.998 369 E CA 1.479 57.872 56.400 -0.011 0.000 0.806 369 E CB -0.329 29.421 29.700 0.083 0.000 0.738 369 E HN 0.428 nan 8.360 nan 0.000 0.459 370 V N 1.247 121.137 119.914 -0.040 0.000 2.453 370 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 370 V C 2.366 178.496 176.094 0.060 0.000 1.048 370 V CA 1.467 63.799 62.300 0.054 0.000 1.049 370 V CB -0.622 31.094 31.823 -0.178 0.000 0.672 370 V HN 0.288 nan 8.190 nan 0.000 0.457 371 A N -0.262 122.548 122.820 -0.016 0.000 1.948 371 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 371 A C 2.178 179.735 177.584 -0.044 0.000 1.177 371 A CA 1.932 53.958 52.037 -0.018 0.000 0.636 371 A CB -0.435 18.547 19.000 -0.030 0.000 0.815 371 A HN 0.538 nan 8.150 nan 0.000 0.449 372 E N -0.673 119.450 120.200 -0.128 0.000 2.013 372 E HA -0.263 4.087 4.350 -0.000 0.000 0.202 372 E C 1.859 178.324 176.600 -0.225 0.000 1.018 372 E CA 1.659 57.905 56.400 -0.256 0.000 0.834 372 E CB -0.629 28.786 29.700 -0.475 0.000 0.770 372 E HN 0.864 nan 8.360 nan 0.000 0.459 373 W N 1.609 122.881 121.300 -0.046 0.000 2.290 373 W HA -0.251 4.409 4.660 -0.000 0.000 0.323 373 W C 2.230 178.715 176.519 -0.056 0.000 1.260 373 W CA 1.086 58.391 57.345 -0.066 0.000 1.266 373 W CB -0.629 28.812 29.460 -0.031 0.000 1.149 373 W HN 0.148 nan 8.180 nan 0.000 0.482 374 D N 0.016 120.525 120.400 0.182 0.000 2.106 374 D HA -0.184 4.456 4.640 -0.000 0.000 0.191 374 D C 1.854 178.179 176.300 0.043 0.000 0.997 374 D CA 1.731 55.789 54.000 0.096 0.000 0.834 374 D CB -0.496 40.343 40.800 0.064 0.000 0.956 374 D HN 0.150 nan 8.370 nan 0.000 0.448 375 K N -0.369 120.033 120.400 0.003 0.000 2.211 375 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 375 K C 2.009 178.593 176.600 -0.027 0.000 1.050 375 K CA 0.302 56.577 56.287 -0.020 0.000 0.945 375 K CB -0.020 32.456 32.500 -0.041 0.000 0.732 375 K HN 0.106 nan 8.250 nan 0.000 0.451 376 L N 1.032 122.232 121.223 -0.038 0.000 2.131 376 L HA -0.031 4.309 4.340 -0.000 0.000 0.206 376 L C 2.396 179.267 176.870 0.001 0.000 1.087 376 L CA 1.212 56.028 54.840 -0.039 0.000 0.767 376 L CB -0.220 41.791 42.059 -0.079 0.000 0.917 376 L HN -0.026 nan 8.230 nan 0.000 0.441 377 R N -0.774 119.747 120.500 0.034 0.000 2.080 377 R HA -0.198 4.142 4.340 -0.000 0.000 0.236 377 R C 2.229 178.540 176.300 0.019 0.000 1.137 377 R CA 1.893 58.016 56.100 0.038 0.000 0.943 377 R CB -0.353 29.984 30.300 0.061 0.000 0.846 377 R HN 0.444 nan 8.270 nan 0.000 0.431 378 Q N 0.371 120.180 119.800 0.015 0.000 2.152 378 Q HA -0.239 4.100 4.340 -0.000 0.000 0.206 378 Q C 2.098 178.098 176.000 -0.001 0.000 0.985 378 Q CA 1.699 57.505 55.803 0.006 0.000 0.863 378 Q CB -0.393 28.346 28.738 0.002 0.000 0.904 378 Q HN 0.419 nan 8.270 nan 0.000 0.422 379 R N 0.345 120.842 120.500 -0.005 0.000 2.070 379 R HA -0.070 4.270 4.340 -0.000 0.000 0.227 379 R C 2.517 178.813 176.300 -0.007 0.000 1.147 379 R CA 1.017 57.111 56.100 -0.010 0.000 0.924 379 R CB -0.385 29.905 30.300 -0.018 0.000 0.827 379 R HN 0.209 nan 8.270 nan 0.000 0.431 380 L N 1.299 122.521 121.223 -0.002 0.000 2.081 380 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 380 L C 2.579 179.450 176.870 0.003 0.000 1.080 380 L CA 0.669 55.511 54.840 0.003 0.000 0.754 380 L CB -0.567 41.499 42.059 0.012 0.000 0.893 380 L HN 0.326 nan 8.230 nan 0.000 0.433 381 L N 0.107 121.332 121.223 0.004 0.000 1.943 381 L HA -0.278 4.062 4.340 -0.000 0.000 0.215 381 L C 2.230 179.098 176.870 -0.003 0.000 1.074 381 L CA 2.054 56.895 54.840 0.002 0.000 0.759 381 L CB -0.917 41.144 42.059 0.002 0.000 0.888 381 L HN 0.193 nan 8.230 nan 0.000 0.433 382 D N -0.585 119.812 120.400 -0.005 0.000 2.133 382 D HA -0.226 4.413 4.640 -0.000 0.000 0.192 382 D C 2.104 178.398 176.300 -0.009 0.000 1.001 382 D CA 1.628 55.623 54.000 -0.008 0.000 0.844 382 D CB -0.094 40.700 40.800 -0.009 0.000 0.944 382 D HN 0.510 nan 8.370 nan 0.000 0.447 383 A N 1.358 124.172 122.820 -0.010 0.000 1.892 383 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 383 A C 2.232 179.809 177.584 -0.010 0.000 1.188 383 A CA 2.085 54.114 52.037 -0.013 0.000 0.631 383 A CB -0.651 18.341 19.000 -0.014 0.000 0.822 383 A HN 0.201 nan 8.150 nan 0.000 0.447 384 R N 0.050 120.547 120.500 -0.005 0.000 2.097 384 R HA -0.220 4.120 4.340 -0.000 0.000 0.236 384 R C 1.792 178.088 176.300 -0.006 0.000 1.135 384 R CA 2.211 58.310 56.100 -0.003 0.000 0.934 384 R CB -0.835 29.465 30.300 0.001 0.000 0.846 384 R HN 0.601 nan 8.270 nan 0.000 0.431 385 N N 1.215 119.911 118.700 -0.007 0.000 2.091 385 N HA -0.210 4.530 4.740 -0.000 0.000 0.193 385 N C 1.750 177.255 175.510 -0.009 0.000 1.021 385 N CA 1.667 54.713 53.050 -0.008 0.000 0.862 385 N CB -0.320 38.162 38.487 -0.008 0.000 1.018 385 N HN 0.374 nan 8.380 nan 0.000 0.429 386 K N 0.620 121.014 120.400 -0.010 0.000 2.032 386 K HA -0.017 4.303 4.320 -0.000 0.000 0.209 386 K C 2.179 178.772 176.600 -0.012 0.000 1.048 386 K CA 0.971 57.251 56.287 -0.012 0.000 0.927 386 K CB -0.155 32.336 32.500 -0.015 0.000 0.712 386 K HN 0.173 nan 8.250 nan 0.000 0.441 387 I N 0.580 121.143 120.570 -0.012 0.000 2.315 387 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 387 I C 2.176 178.289 176.117 -0.007 0.000 1.117 387 I CA 1.079 62.373 61.300 -0.010 0.000 1.404 387 I CB -0.561 37.434 38.000 -0.009 0.000 1.071 387 I HN 0.190 nan 8.210 nan 0.000 0.419 388 T N 0.021 114.572 114.554 -0.006 0.000 2.555 388 T HA -0.275 4.075 4.350 -0.000 0.000 0.264 388 T C 2.134 176.830 174.700 -0.006 0.000 1.083 388 T CA 2.210 64.307 62.100 -0.005 0.000 1.179 388 T CB -0.447 68.418 68.868 -0.006 0.000 0.863 388 T HN 0.339 nan 8.240 nan 0.000 0.412 389 S N 0.820 116.516 115.700 -0.007 0.000 2.372 389 S HA -0.210 4.260 4.470 -0.000 0.000 0.227 389 S C 2.334 176.931 174.600 -0.006 0.000 1.044 389 S CA 1.760 59.957 58.200 -0.006 0.000 1.050 389 S CB -0.714 62.481 63.200 -0.007 0.000 0.901 389 S HN 0.538 nan 8.310 nan 0.000 0.447 390 A N 1.030 123.846 122.820 -0.007 0.000 1.865 390 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 390 A C 1.999 179.580 177.584 -0.005 0.000 1.191 390 A CA 1.904 53.937 52.037 -0.007 0.000 0.623 390 A CB -0.998 17.997 19.000 -0.008 0.000 0.826 390 A HN 0.740 nan 8.150 nan 0.000 0.444 391 E N -0.154 120.044 120.200 -0.004 0.000 2.097 391 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 391 E C 2.338 178.937 176.600 -0.002 0.000 1.000 391 E CA 1.471 57.870 56.400 -0.003 0.000 0.804 391 E CB -0.200 29.499 29.700 -0.002 0.000 0.740 391 E HN 0.605 nan 8.360 nan 0.000 0.454 392 S N 0.626 116.325 115.700 -0.003 0.000 2.382 392 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 392 S C 2.031 176.630 174.600 -0.002 0.000 1.027 392 S CA 0.883 59.081 58.200 -0.002 0.000 0.991 392 S CB -0.199 62.999 63.200 -0.003 0.000 0.823 392 S HN 0.395 nan 8.310 nan 0.000 0.469 393 A N 1.629 124.448 122.820 -0.003 0.000 1.834 393 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 393 A C 2.310 179.893 177.584 -0.002 0.000 1.203 393 A CA 1.778 53.813 52.037 -0.003 0.000 0.621 393 A CB -1.324 17.673 19.000 -0.004 0.000 0.841 393 A HN 0.277 nan 8.150 nan 0.000 0.446 394 V N 2.099 122.012 119.914 -0.002 0.000 2.223 394 V HA -0.430 3.690 4.120 -0.000 0.000 0.253 394 V C 2.493 178.587 176.094 -0.000 0.000 1.061 394 V CA 3.034 65.333 62.300 -0.002 0.000 1.035 394 V CB -1.517 30.305 31.823 -0.002 0.000 0.653 394 V HN 0.971 nan 8.190 nan 0.000 0.454 395 N N -0.071 118.629 118.700 -0.000 0.000 2.192 395 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 395 N C 1.662 177.173 175.510 0.001 0.000 1.013 395 N CA 2.005 55.055 53.050 0.001 0.000 0.863 395 N CB -0.833 37.655 38.487 0.001 0.000 0.990 395 N HN 0.397 nan 8.380 nan 0.000 0.430 396 S N -0.183 115.517 115.700 0.000 0.000 2.368 396 S HA 0.023 4.493 4.470 -0.000 0.000 0.225 396 S C 2.031 176.632 174.600 0.001 0.000 1.030 396 S CA 1.072 59.272 58.200 0.000 0.000 0.999 396 S CB -0.610 62.590 63.200 -0.000 0.000 0.844 396 S HN 0.669 nan 8.310 nan 0.000 0.459 397 A N 1.427 124.247 122.820 0.000 0.000 1.873 397 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 397 A C 2.018 179.603 177.584 0.002 0.000 1.186 397 A CA 1.578 53.616 52.037 0.001 0.000 0.616 397 A CB -0.579 18.421 19.000 -0.000 0.000 0.823 397 A HN 0.459 nan 8.150 nan 0.000 0.442 398 R N -0.529 119.971 120.500 0.001 0.000 2.241 398 R HA -0.083 4.257 4.340 -0.000 0.000 0.224 398 R C 0.363 176.665 176.300 0.003 0.000 1.101 398 R CA 1.318 57.419 56.100 0.002 0.000 0.995 398 R CB -0.107 30.194 30.300 0.002 0.000 0.870 398 R HN 0.418 nan 8.270 nan 0.000 0.463 399 N N -0.201 118.501 118.700 0.003 0.000 2.234 399 N HA -0.023 4.717 4.740 -0.000 0.000 0.227 399 N C 0.012 175.526 175.510 0.006 0.000 1.151 399 N CA 0.146 53.199 53.050 0.005 0.000 0.865 399 N CB 0.724 39.213 38.487 0.004 0.000 1.066 399 N HN 0.261 nan 8.380 nan 0.000 0.515 400 N N -0.005 118.699 118.700 0.005 0.000 2.445 400 N HA 0.062 4.802 4.740 -0.000 0.000 0.204 400 N C 1.359 176.873 175.510 0.007 0.000 1.098 400 N CA 0.012 53.066 53.050 0.006 0.000 0.859 400 N CB 0.050 38.540 38.487 0.004 0.000 1.249 400 N HN -0.015 nan 8.380 nan 0.000 0.462 401 L N 0.946 122.173 121.223 0.006 0.000 1.955 401 L HA 0.006 4.346 4.340 -0.000 0.000 0.213 401 L C 2.015 178.889 176.870 0.007 0.000 1.072 401 L CA 1.851 56.694 54.840 0.005 0.000 0.755 401 L CB -1.178 40.883 42.059 0.003 0.000 0.888 401 L HN 0.090 nan 8.230 nan 0.000 0.432 402 S N -0.074 115.631 115.700 0.007 0.000 2.372 402 S HA -0.292 4.178 4.470 -0.000 0.000 0.227 402 S C 2.098 176.708 174.600 0.017 0.000 1.044 402 S CA 1.418 59.623 58.200 0.010 0.000 1.050 402 S CB -0.916 62.289 63.200 0.010 0.000 0.901 402 S HN 0.691 nan 8.310 nan 0.000 0.447 403 A N 2.141 124.972 122.820 0.017 0.000 1.903 403 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 403 A C 2.192 179.793 177.584 0.029 0.000 1.191 403 A CA 1.543 53.594 52.037 0.023 0.000 0.638 403 A CB -0.487 18.523 19.000 0.016 0.000 0.823 403 A HN 0.273 nan 8.150 nan 0.000 0.451 404 R N -0.830 119.683 120.500 0.021 0.000 2.075 404 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 404 R C 2.229 178.542 176.300 0.022 0.000 1.126 404 R CA 1.743 57.856 56.100 0.021 0.000 0.963 404 R CB -1.688 28.620 30.300 0.013 0.000 0.858 404 R HN 0.574 nan 8.270 nan 0.000 0.435 405 T N 1.276 115.838 114.554 0.013 0.000 2.833 405 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 405 T C 1.557 176.256 174.700 -0.001 0.000 1.054 405 T CA 1.512 63.613 62.100 0.001 0.000 1.135 405 T CB -0.274 68.590 68.868 -0.006 0.000 0.869 405 T HN 0.416 nan 8.240 nan 0.000 0.466 406 N N 0.611 119.329 118.700 0.030 0.000 2.104 406 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 406 N C 1.945 177.543 175.510 0.147 0.000 1.024 406 N CA 1.291 54.385 53.050 0.074 0.000 0.853 406 N CB -0.056 38.516 38.487 0.141 0.000 1.008 406 N HN 0.545 nan 8.380 nan 0.000 0.424 407 E N 0.549 120.829 120.200 0.133 0.000 2.077 407 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 407 E C 1.957 178.599 176.600 0.070 0.000 0.989 407 E CA 0.727 57.209 56.400 0.137 0.000 0.800 407 E CB -0.080 29.665 29.700 0.076 0.000 0.746 407 E HN 0.381 nan 8.360 nan 0.000 0.452 408 Q N 1.412 121.223 119.800 0.018 0.000 2.061 408 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 408 Q C 2.221 178.194 176.000 -0.045 0.000 0.984 408 Q CA 1.652 57.450 55.803 -0.008 0.000 0.846 408 Q CB -0.024 28.705 28.738 -0.015 0.000 0.902 408 Q HN 0.088 nan 8.270 nan 0.000 0.421 409 K N -0.321 120.009 120.400 -0.117 0.000 2.009 409 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 409 K C 1.232 177.705 176.600 -0.213 0.000 1.049 409 K CA 1.875 58.033 56.287 -0.214 0.000 0.929 409 K CB -0.244 32.032 32.500 -0.372 0.000 0.714 409 K HN 0.421 nan 8.250 nan 0.000 0.440 410 H N -0.974 118.095 119.070 -0.001 0.000 2.606 410 H HA 0.045 4.601 4.556 -0.000 0.000 0.283 410 H C 0.812 176.139 175.328 -0.001 0.000 1.084 410 H CA 0.182 56.230 56.048 -0.001 0.000 1.191 410 H CB 0.279 30.040 29.762 -0.001 0.000 1.289 410 H HN 0.331 nan 8.280 nan 0.000 0.628 411 A N -0.078 122.775 122.820 0.055 0.000 1.935 411 A HA -0.023 4.297 4.320 -0.000 0.000 0.202 411 A C 1.984 179.577 177.584 0.014 0.000 1.772 411 A CA 0.180 52.239 52.037 0.037 0.000 1.013 411 A CB 0.012 19.028 19.000 0.027 0.000 1.077 411 A HN 0.272 nan 8.150 nan 0.000 0.565 412 N N 1.175 119.872 118.700 -0.005 0.000 2.058 412 N HA -0.165 4.574 4.740 -0.000 0.000 0.191 412 N C 1.091 176.595 175.510 -0.010 0.000 1.037 412 N CA 2.040 55.083 53.050 -0.011 0.000 0.848 412 N CB -0.336 38.137 38.487 -0.024 0.000 1.021 412 N HN 0.370 nan 8.380 nan 0.000 0.422 413 D N 0.258 120.647 120.400 -0.019 0.000 2.103 413 D HA -0.136 4.504 4.640 -0.000 0.000 0.190 413 D C 1.814 178.121 176.300 0.011 0.000 0.997 413 D CA 1.749 55.743 54.000 -0.010 0.000 0.833 413 D CB -0.771 40.018 40.800 -0.019 0.000 0.961 413 D HN 0.383 nan 8.370 nan 0.000 0.447 414 A N 0.517 123.353 122.820 0.027 0.000 1.917 414 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 414 A C 2.220 179.814 177.584 0.018 0.000 1.182 414 A CA 1.615 53.670 52.037 0.031 0.000 0.633 414 A CB -0.903 18.123 19.000 0.042 0.000 0.819 414 A HN 0.290 nan 8.150 nan 0.000 0.448 415 L N 0.279 121.510 121.223 0.013 0.000 2.017 415 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 415 L C 2.090 178.963 176.870 0.005 0.000 1.073 415 L CA 2.656 57.501 54.840 0.008 0.000 0.745 415 L CB -0.711 41.351 42.059 0.005 0.000 0.894 415 L HN 0.454 nan 8.230 nan 0.000 0.432 416 N N 0.122 118.824 118.700 0.003 0.000 2.069 416 N HA -0.188 4.552 4.740 -0.000 0.000 0.191 416 N C 1.857 177.369 175.510 0.003 0.000 1.031 416 N CA 1.775 54.825 53.050 0.001 0.000 0.852 416 N CB -0.427 38.059 38.487 -0.002 0.000 1.018 416 N HN 0.520 nan 8.380 nan 0.000 0.423 417 A N 1.133 123.957 122.820 0.006 0.000 1.903 417 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 417 A C 2.480 180.068 177.584 0.006 0.000 1.191 417 A CA 1.491 53.532 52.037 0.007 0.000 0.638 417 A CB -1.014 17.993 19.000 0.012 0.000 0.823 417 A HN 0.403 nan 8.150 nan 0.000 0.451 418 L N -0.759 120.468 121.223 0.006 0.000 2.046 418 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 418 L C 2.496 179.368 176.870 0.003 0.000 1.077 418 L CA 1.074 55.917 54.840 0.005 0.000 0.747 418 L CB -0.552 41.510 42.059 0.005 0.000 0.896 418 L HN 0.404 nan 8.230 nan 0.000 0.432 419 L N -0.546 120.678 121.223 0.002 0.000 2.265 419 L HA -0.197 4.143 4.340 -0.000 0.000 0.215 419 L C 2.658 179.528 176.870 0.001 0.000 1.117 419 L CA 0.821 55.661 54.840 0.001 0.000 0.782 419 L CB -0.516 41.544 42.059 0.000 0.000 0.914 419 L HN 0.269 nan 8.230 nan 0.000 0.441 420 K N 0.244 120.645 120.400 0.001 0.000 2.007 420 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 420 K C 1.874 178.475 176.600 0.001 0.000 1.047 420 K CA 1.103 57.391 56.287 0.001 0.000 0.937 420 K CB -0.313 32.188 32.500 0.002 0.000 0.718 420 K HN 0.282 nan 8.250 nan 0.000 0.438 421 E N 1.138 121.339 120.200 0.002 0.000 2.160 421 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 421 E C 2.011 178.612 176.600 0.001 0.000 0.991 421 E CA 1.117 57.518 56.400 0.001 0.000 0.810 421 E CB 0.116 29.817 29.700 0.002 0.000 0.742 421 E HN 0.188 nan 8.360 nan 0.000 0.466 422 K N 0.746 121.147 120.400 0.001 0.000 2.009 422 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 422 K C 1.885 178.485 176.600 -0.000 0.000 1.049 422 K CA 1.808 58.095 56.287 -0.000 0.000 0.929 422 K CB 0.022 32.522 32.500 0.000 0.000 0.714 422 K HN 0.094 nan 8.250 nan 0.000 0.440 423 E N 0.191 120.391 120.200 -0.000 0.000 2.070 423 E HA -0.242 4.108 4.350 -0.000 0.000 0.197 423 E C 1.934 178.533 176.600 -0.001 0.000 1.004 423 E CA 1.577 57.977 56.400 -0.001 0.000 0.805 423 E CB -0.187 29.512 29.700 -0.000 0.000 0.744 423 E HN 0.323 nan 8.360 nan 0.000 0.451 424 N N 0.659 119.359 118.700 -0.000 0.000 2.216 424 N HA -0.087 4.653 4.740 -0.000 0.000 0.183 424 N C 1.626 177.136 175.510 -0.001 0.000 1.017 424 N CA 0.793 53.843 53.050 -0.000 0.000 0.861 424 N CB 0.014 38.501 38.487 -0.000 0.000 0.986 424 N HN 0.107 nan 8.380 nan 0.000 0.428 425 I N 0.108 120.677 120.570 -0.001 0.000 2.163 425 I HA -0.232 3.938 4.170 -0.000 0.000 0.240 425 I C 2.546 178.662 176.117 -0.002 0.000 1.081 425 I CA 0.828 62.127 61.300 -0.001 0.000 1.353 425 I CB -0.319 37.681 38.000 -0.001 0.000 1.054 425 I HN 0.207 nan 8.210 nan 0.000 0.407 426 R N 1.044 121.543 120.500 -0.002 0.000 2.119 426 R HA -0.276 4.064 4.340 -0.000 0.000 0.246 426 R C 2.145 178.443 176.300 -0.002 0.000 1.146 426 R CA 2.384 58.483 56.100 -0.002 0.000 0.962 426 R CB -0.316 29.983 30.300 -0.002 0.000 0.863 426 R HN 0.325 nan 8.270 nan 0.000 0.442 427 N N 0.302 119.001 118.700 -0.002 0.000 2.062 427 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 427 N C 1.645 177.154 175.510 -0.002 0.000 1.042 427 N CA 1.874 54.923 53.050 -0.002 0.000 0.845 427 N CB -0.143 38.343 38.487 -0.001 0.000 1.024 427 N HN 0.317 nan 8.380 nan 0.000 0.424 428 Q N -0.372 119.427 119.800 -0.002 0.000 2.077 428 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 428 Q C 2.054 178.053 176.000 -0.003 0.000 0.989 428 Q CA 1.464 57.266 55.803 -0.002 0.000 0.853 428 Q CB -0.277 28.460 28.738 -0.002 0.000 0.907 428 Q HN 0.350 nan 8.270 nan 0.000 0.418 429 L N 0.361 121.582 121.223 -0.003 0.000 1.961 429 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 429 L C 2.311 179.179 176.870 -0.003 0.000 1.072 429 L CA 1.859 56.697 54.840 -0.003 0.000 0.749 429 L CB -0.676 41.382 42.059 -0.003 0.000 0.889 429 L HN 0.044 nan 8.230 nan 0.000 0.432 430 S N -0.154 115.544 115.700 -0.003 0.000 2.381 430 S HA -0.251 4.219 4.470 -0.000 0.000 0.230 430 S C 1.904 176.502 174.600 -0.003 0.000 1.052 430 S CA 1.382 59.580 58.200 -0.003 0.000 1.068 430 S CB -1.319 61.880 63.200 -0.003 0.000 0.918 430 S HN 0.750 nan 8.310 nan 0.000 0.448 431 G N 1.759 110.557 108.800 -0.003 0.000 2.553 431 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 431 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 431 G C 1.337 176.235 174.900 -0.004 0.000 1.195 431 G CA 1.165 46.263 45.100 -0.003 0.000 0.779 431 G HN 0.498 nan 8.290 nan 0.000 0.577 432 I N 0.789 121.357 120.570 -0.004 0.000 2.194 432 I HA -0.247 3.923 4.170 -0.000 0.000 0.246 432 I C 2.712 178.826 176.117 -0.005 0.000 1.093 432 I CA 1.099 62.396 61.300 -0.005 0.000 1.355 432 I CB -0.365 37.632 38.000 -0.005 0.000 1.046 432 I HN 0.186 nan 8.210 nan 0.000 0.413 433 N N 0.587 119.284 118.700 -0.005 0.000 2.018 433 N HA -0.296 4.443 4.740 -0.000 0.000 0.196 433 N C 1.846 177.353 175.510 -0.006 0.000 1.043 433 N CA 1.807 54.854 53.050 -0.005 0.000 0.856 433 N CB -0.461 38.023 38.487 -0.005 0.000 1.042 433 N HN 0.367 nan 8.380 nan 0.000 0.423 434 Q N 1.302 121.098 119.800 -0.005 0.000 2.062 434 Q HA -0.194 4.146 4.340 -0.000 0.000 0.209 434 Q C 1.979 177.975 176.000 -0.006 0.000 0.996 434 Q CA 2.048 57.847 55.803 -0.005 0.000 0.859 434 Q CB -0.187 28.548 28.738 -0.004 0.000 0.920 434 Q HN 0.187 nan 8.270 nan 0.000 0.415 435 K N -0.095 120.301 120.400 -0.006 0.000 2.034 435 K HA -0.178 4.142 4.320 -0.000 0.000 0.214 435 K C 1.855 178.450 176.600 -0.008 0.000 1.051 435 K CA 2.041 58.325 56.287 -0.006 0.000 0.931 435 K CB -0.381 32.115 32.500 -0.006 0.000 0.715 435 K HN 0.337 nan 8.250 nan 0.000 0.446 436 I N 0.170 120.735 120.570 -0.008 0.000 2.226 436 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 436 I C 2.349 178.460 176.117 -0.010 0.000 1.100 436 I CA 1.140 62.435 61.300 -0.009 0.000 1.374 436 I CB -0.496 37.498 38.000 -0.009 0.000 1.057 436 I HN 0.296 nan 8.210 nan 0.000 0.413 437 A N 0.541 123.356 122.820 -0.009 0.000 1.865 437 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 437 A C 2.306 179.885 177.584 -0.009 0.000 1.191 437 A CA 2.093 54.125 52.037 -0.009 0.000 0.623 437 A CB -0.772 18.223 19.000 -0.007 0.000 0.826 437 A HN 0.462 nan 8.150 nan 0.000 0.444 438 E N -0.765 119.430 120.200 -0.008 0.000 2.033 438 E HA -0.301 4.049 4.350 -0.000 0.000 0.199 438 E C 2.063 178.657 176.600 -0.010 0.000 1.011 438 E CA 1.682 58.078 56.400 -0.008 0.000 0.815 438 E CB -0.152 29.544 29.700 -0.007 0.000 0.755 438 E HN 0.596 nan 8.360 nan 0.000 0.451 439 E N 0.940 121.133 120.200 -0.012 0.000 2.118 439 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 439 E C 1.751 178.341 176.600 -0.016 0.000 0.992 439 E CA 1.650 58.041 56.400 -0.015 0.000 0.804 439 E CB -0.006 29.685 29.700 -0.016 0.000 0.741 439 E HN 0.166 nan 8.360 nan 0.000 0.458 440 K N -0.189 120.203 120.400 -0.014 0.000 2.002 440 K HA -0.102 4.218 4.320 -0.000 0.000 0.209 440 K C 2.407 178.998 176.600 -0.014 0.000 1.048 440 K CA 1.603 57.881 56.287 -0.015 0.000 0.930 440 K CB -0.192 32.300 32.500 -0.014 0.000 0.714 440 K HN 0.062 nan 8.250 nan 0.000 0.438 441 R N 1.195 121.688 120.500 -0.012 0.000 2.103 441 R HA -0.158 4.182 4.340 -0.000 0.000 0.242 441 R C 2.286 178.580 176.300 -0.011 0.000 1.142 441 R CA 1.651 57.745 56.100 -0.011 0.000 0.960 441 R CB -0.206 30.089 30.300 -0.008 0.000 0.858 441 R HN 0.155 nan 8.270 nan 0.000 0.439 442 K N 0.494 120.886 120.400 -0.012 0.000 2.026 442 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 442 K C 2.267 178.856 176.600 -0.019 0.000 1.048 442 K CA 1.466 57.745 56.287 -0.013 0.000 0.929 442 K CB -0.122 32.369 32.500 -0.015 0.000 0.713 442 K HN 0.207 nan 8.250 nan 0.000 0.439 443 Q N 0.775 120.561 119.800 -0.023 0.000 2.124 443 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 443 Q C 1.335 177.320 176.000 -0.025 0.000 0.977 443 Q CA 1.572 57.357 55.803 -0.029 0.000 0.850 443 Q CB 0.167 28.888 28.738 -0.028 0.000 0.901 443 Q HN 0.255 nan 8.270 nan 0.000 0.429 444 D N 0.333 120.721 120.400 -0.019 0.000 2.075 444 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 444 D C 1.670 177.962 176.300 -0.013 0.000 0.985 444 D CA 1.194 55.184 54.000 -0.017 0.000 0.834 444 D CB -0.293 40.498 40.800 -0.015 0.000 0.987 444 D HN 0.320 nan 8.370 nan 0.000 0.452 445 E N 0.324 120.519 120.200 -0.008 0.000 2.136 445 E HA -0.248 4.102 4.350 -0.000 0.000 0.208 445 E C 2.159 178.762 176.600 0.005 0.000 1.035 445 E CA 0.811 57.212 56.400 0.000 0.000 0.838 445 E CB -0.268 29.434 29.700 0.004 0.000 0.748 445 E HN 0.100 nan 8.360 nan 0.000 0.459 446 L N 1.620 122.841 121.223 -0.004 0.000 1.971 446 L HA -0.254 4.086 4.340 -0.000 0.000 0.215 446 L C 2.328 179.194 176.870 -0.007 0.000 1.072 446 L CA 2.099 56.935 54.840 -0.006 0.000 0.758 446 L CB -0.390 41.649 42.059 -0.033 0.000 0.889 446 L HN -0.052 nan 8.230 nan 0.000 0.433 447 K N -0.885 119.505 120.400 -0.017 0.000 2.063 447 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 447 K C 1.989 178.583 176.600 -0.010 0.000 1.048 447 K CA 1.439 57.715 56.287 -0.018 0.000 0.928 447 K CB -0.319 32.167 32.500 -0.024 0.000 0.713 447 K HN 0.511 nan 8.250 nan 0.000 0.442 448 A N 0.356 123.172 122.820 -0.006 0.000 1.908 448 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 448 A C 2.127 179.720 177.584 0.017 0.000 1.181 448 A CA 2.262 54.298 52.037 -0.002 0.000 0.627 448 A CB -0.876 18.123 19.000 -0.001 0.000 0.818 448 A HN 0.430 nan 8.150 nan 0.000 0.445 449 T N -0.839 113.733 114.554 0.030 0.000 2.942 449 T HA -0.036 4.314 4.350 -0.000 0.000 0.265 449 T C 1.886 176.622 174.700 0.059 0.000 1.062 449 T CA 1.320 63.454 62.100 0.057 0.000 1.139 449 T CB -0.047 68.864 68.868 0.070 0.000 0.883 449 T HN 0.579 nan 8.240 nan 0.000 0.468 450 K N 1.212 121.629 120.400 0.030 0.000 1.965 450 K HA -0.161 4.159 4.320 -0.000 0.000 0.214 450 K C 1.849 178.456 176.600 0.012 0.000 1.046 450 K CA 1.833 58.123 56.287 0.004 0.000 0.944 450 K CB -0.210 32.278 32.500 -0.020 0.000 0.726 450 K HN 0.037 nan 8.250 nan 0.000 0.441 451 D N 0.466 120.869 120.400 0.005 0.000 2.172 451 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 451 D C 1.705 178.032 176.300 0.045 0.000 0.999 451 D CA 1.509 55.514 54.000 0.009 0.000 0.856 451 D CB -0.339 40.451 40.800 -0.017 0.000 0.934 451 D HN 0.425 nan 8.370 nan 0.000 0.453 452 A N 0.694 123.548 122.820 0.056 0.000 1.858 452 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 452 A C 2.367 180.040 177.584 0.149 0.000 1.190 452 A CA 0.937 53.039 52.037 0.108 0.000 0.617 452 A CB -0.817 18.242 19.000 0.099 0.000 0.827 452 A HN 0.229 nan 8.150 nan 0.000 0.443 453 I N 0.091 120.736 120.570 0.124 0.000 2.623 453 I HA -0.297 3.873 4.170 -0.000 0.000 0.261 453 I C 1.698 177.887 176.117 0.121 0.000 1.204 453 I CA 1.525 62.910 61.300 0.141 0.000 1.444 453 I CB -0.457 37.611 38.000 0.113 0.000 1.094 453 I HN 0.459 nan 8.210 nan 0.000 0.451 454 N N -0.397 118.363 118.700 0.101 0.000 2.405 454 N HA -0.078 4.662 4.740 -0.000 0.000 0.175 454 N C 1.616 177.225 175.510 0.165 0.000 1.051 454 N CA 0.225 53.333 53.050 0.098 0.000 0.899 454 N CB -0.019 38.500 38.487 0.053 0.000 1.000 454 N HN 0.174 nan 8.380 nan 0.000 0.451 455 F N 1.982 121.923 119.950 -0.016 0.000 2.113 455 F HA -0.051 4.476 4.527 -0.000 0.000 0.297 455 F C 1.977 177.807 175.800 0.050 0.000 1.103 455 F CA 1.275 59.235 58.000 -0.067 0.000 1.248 455 F CB -0.868 37.988 39.000 -0.240 0.000 0.999 455 F HN -0.097 nan 8.300 nan 0.000 0.475 456 T N -0.424 114.114 114.554 -0.027 0.000 2.746 456 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 456 T C 1.944 176.752 174.700 0.180 0.000 1.039 456 T CA 2.036 64.218 62.100 0.136 0.000 1.142 456 T CB -0.766 68.275 68.868 0.288 0.000 0.866 456 T HN 0.274 nan 8.240 nan 0.000 0.444 457 T N 2.009 116.650 114.554 0.145 0.000 2.652 457 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 457 T C 1.936 176.685 174.700 0.081 0.000 1.039 457 T CA 1.010 63.178 62.100 0.114 0.000 1.153 457 T CB -0.288 68.640 68.868 0.100 0.000 0.863 457 T HN 0.283 nan 8.240 nan 0.000 0.428 458 E N 0.279 120.536 120.200 0.094 0.000 2.333 458 E HA -0.052 4.298 4.350 -0.000 0.000 0.198 458 E C 1.623 178.261 176.600 0.063 0.000 1.007 458 E CA 0.475 56.923 56.400 0.080 0.000 0.845 458 E CB -0.285 29.494 29.700 0.132 0.000 0.766 458 E HN 0.555 nan 8.360 nan 0.000 0.507 459 F N 0.982 120.869 119.950 -0.105 0.000 2.049 459 F HA -0.076 4.451 4.527 -0.000 0.000 0.288 459 F C 2.135 177.813 175.800 -0.203 0.000 1.141 459 F CA 0.943 58.839 58.000 -0.173 0.000 1.165 459 F CB -0.633 38.240 39.000 -0.212 0.000 1.012 459 F HN -0.134 nan 8.300 nan 0.000 0.475 460 L N 0.774 121.850 121.223 -0.244 0.000 2.085 460 L HA -0.347 3.992 4.340 -0.000 0.000 0.218 460 L C 2.616 179.293 176.870 -0.322 0.000 1.080 460 L CA 2.135 56.772 54.840 -0.339 0.000 0.776 460 L CB -1.087 40.934 42.059 -0.063 0.000 0.891 460 L HN 0.280 nan 8.230 nan 0.000 0.437 461 K N 0.436 120.716 120.400 -0.201 0.000 1.985 461 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 461 K C 2.424 178.886 176.600 -0.230 0.000 1.047 461 K CA 1.964 58.153 56.287 -0.164 0.000 0.932 461 K CB -0.161 32.286 32.500 -0.088 0.000 0.716 461 K HN 0.375 nan 8.250 nan 0.000 0.439 462 S N 0.189 115.735 115.700 -0.257 0.000 2.419 462 S HA -0.103 4.367 4.470 -0.000 0.000 0.235 462 S C 1.976 176.303 174.600 -0.455 0.000 1.019 462 S CA 1.420 59.445 58.200 -0.291 0.000 0.982 462 S CB -0.508 62.549 63.200 -0.239 0.000 0.789 462 S HN 0.167 nan 8.310 nan 0.000 0.490 463 V N 1.532 121.089 119.914 -0.595 0.000 2.427 463 V HA -0.100 4.020 4.120 -0.000 0.000 0.248 463 V C 2.968 178.777 176.094 -0.474 0.000 1.051 463 V CA 1.863 63.729 62.300 -0.723 0.000 1.048 463 V CB -1.201 30.120 31.823 -0.837 0.000 0.666 463 V HN 0.696 nan 8.190 nan 0.000 0.456 464 S N -0.257 115.249 115.700 -0.323 0.000 2.387 464 S HA -0.194 4.276 4.470 -0.000 0.000 0.226 464 S C 1.925 176.425 174.600 -0.167 0.000 1.026 464 S CA 1.655 59.742 58.200 -0.189 0.000 0.972 464 S CB -0.181 62.937 63.200 -0.136 0.000 0.814 464 S HN 0.741 nan 8.310 nan 0.000 0.477 465 E N 0.217 120.294 120.200 -0.205 0.000 2.150 465 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 465 E C 2.046 178.533 176.600 -0.187 0.000 0.985 465 E CA 0.785 57.086 56.400 -0.165 0.000 0.814 465 E CB 0.087 29.695 29.700 -0.154 0.000 0.752 465 E HN 0.311 nan 8.360 nan 0.000 0.466 466 K N -0.254 119.943 120.400 -0.338 0.000 2.242 466 K HA 0.033 4.353 4.320 -0.000 0.000 0.200 466 K C 1.080 177.568 176.600 -0.188 0.000 1.050 466 K CA 0.823 56.872 56.287 -0.397 0.000 0.981 466 K CB 0.339 32.373 32.500 -0.777 0.000 0.795 466 K HN 0.206 nan 8.250 nan 0.000 0.477 467 Y N 0.069 120.293 120.300 -0.126 0.000 2.500 467 Y HA 0.353 4.903 4.550 -0.000 0.000 0.246 467 Y C 0.831 176.732 175.900 0.002 0.000 1.146 467 Y CA -0.755 57.313 58.100 -0.054 0.000 1.230 467 Y CB -0.086 38.296 38.460 -0.130 0.000 1.214 467 Y HN 0.109 nan 8.280 nan 0.000 0.526 468 G N 1.053 109.895 108.800 0.070 0.000 2.880 468 G HA2 0.063 4.023 3.960 -0.000 0.000 0.686 468 G HA3 0.063 4.023 3.960 -0.000 0.000 0.686 468 G C 1.039 175.963 174.900 0.041 0.000 1.505 468 G CA 0.086 45.214 45.100 0.047 0.000 1.057 468 G HN 0.827 nan 8.290 nan 0.000 0.599 469 A N 1.764 124.590 122.820 0.010 0.000 2.259 469 A HA -0.414 3.906 4.320 -0.000 0.000 0.287 469 A C 2.487 180.057 177.584 -0.023 0.000 3.655 469 A CA 3.878 55.914 52.037 -0.002 0.000 1.024 469 A CB -1.418 17.592 19.000 0.017 0.000 0.527 469 A HN 1.960 nan 8.150 nan 0.000 0.443 470 K N -0.701 119.695 120.400 -0.007 0.000 2.117 470 K HA -0.223 4.097 4.320 -0.000 0.000 0.215 470 K C 2.267 178.703 176.600 -0.273 0.000 1.053 470 K CA 2.436 58.665 56.287 -0.096 0.000 0.935 470 K CB -0.879 31.621 32.500 0.001 0.000 0.719 470 K HN 0.816 nan 8.250 nan 0.000 0.460 471 A N 0.634 123.323 122.820 -0.218 0.000 1.859 471 A HA -0.311 4.009 4.320 -0.000 0.000 0.217 471 A C 2.237 179.795 177.584 -0.044 0.000 1.198 471 A CA 2.139 54.099 52.037 -0.128 0.000 0.629 471 A CB -0.753 18.265 19.000 0.032 0.000 0.830 471 A HN 0.514 nan 8.150 nan 0.000 0.446 472 E N -0.749 119.400 120.200 -0.085 0.000 2.023 472 E HA -0.319 4.031 4.350 -0.000 0.000 0.196 472 E C 2.268 178.854 176.600 -0.022 0.000 1.003 472 E CA 1.552 57.907 56.400 -0.075 0.000 0.809 472 E CB -0.272 29.372 29.700 -0.094 0.000 0.755 472 E HN 0.714 nan 8.360 nan 0.000 0.449 473 Q N 0.028 119.806 119.800 -0.037 0.000 2.197 473 Q HA -0.244 4.095 4.340 -0.000 0.000 0.211 473 Q C 2.226 178.218 176.000 -0.014 0.000 0.993 473 Q CA 1.806 57.596 55.803 -0.021 0.000 0.883 473 Q CB -0.173 28.547 28.738 -0.030 0.000 0.916 473 Q HN 0.340 nan 8.270 nan 0.000 0.418 474 L N 0.296 121.485 121.223 -0.057 0.000 1.988 474 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 474 L C 2.274 179.176 176.870 0.054 0.000 1.071 474 L CA 2.255 57.063 54.840 -0.053 0.000 0.744 474 L CB -1.385 40.557 42.059 -0.195 0.000 0.893 474 L HN 0.274 nan 8.230 nan 0.000 0.433 475 A N -0.055 122.851 122.820 0.144 0.000 1.870 475 A HA -0.339 3.981 4.320 -0.000 0.000 0.219 475 A C 2.438 180.194 177.584 0.286 0.000 1.224 475 A CA 2.616 54.838 52.037 0.307 0.000 0.650 475 A CB -0.805 18.355 19.000 0.266 0.000 0.836 475 A HN 0.537 nan 8.150 nan 0.000 0.454 476 R N -0.798 119.813 120.500 0.184 0.000 2.082 476 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 476 R C 2.227 178.597 176.300 0.117 0.000 1.136 476 R CA 1.689 57.883 56.100 0.157 0.000 0.935 476 R CB -0.538 29.822 30.300 0.100 0.000 0.842 476 R HN 0.712 nan 8.270 nan 0.000 0.430 477 E N 0.374 120.622 120.200 0.079 0.000 2.233 477 E HA -0.277 4.073 4.350 -0.000 0.000 0.199 477 E C 1.927 178.559 176.600 0.053 0.000 1.004 477 E CA 1.438 57.874 56.400 0.060 0.000 0.819 477 E CB -0.147 29.577 29.700 0.041 0.000 0.738 477 E HN 0.324 nan 8.360 nan 0.000 0.478 478 M N 0.406 120.043 119.600 0.061 0.000 2.098 478 M HA -0.085 4.395 4.480 -0.000 0.000 0.262 478 M C 2.226 178.530 176.300 0.008 0.000 1.072 478 M CA 1.774 57.090 55.300 0.026 0.000 1.133 478 M CB 0.004 32.620 32.600 0.027 0.000 1.344 478 M HN 0.065 nan 8.290 nan 0.000 0.414 479 A N 0.018 122.861 122.820 0.040 0.000 2.125 479 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 479 A C 2.149 179.763 177.584 0.049 0.000 1.156 479 A CA 1.439 53.487 52.037 0.019 0.000 0.671 479 A CB -1.547 17.508 19.000 0.093 0.000 0.794 479 A HN 0.690 nan 8.150 nan 0.000 0.459 480 G N -1.024 107.815 108.800 0.065 0.000 2.433 480 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 480 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 480 G C 1.501 176.439 174.900 0.063 0.000 1.186 480 G CA 0.966 46.113 45.100 0.079 0.000 0.779 480 G HN 0.466 nan 8.290 nan 0.000 0.543 481 Q N -0.547 119.274 119.800 0.035 0.000 2.798 481 Q HA 0.341 4.681 4.340 -0.000 0.000 0.439 481 Q C 2.307 178.308 176.000 0.002 0.000 1.114 481 Q CA 0.809 56.621 55.803 0.015 0.000 0.485 481 Q CB -0.295 28.445 28.738 0.003 0.000 5.061 481 Q HN 0.491 nan 8.270 nan 0.000 0.311 482 A N 0.700 123.508 122.820 -0.020 0.000 2.542 482 A HA -0.351 3.969 4.320 -0.000 0.000 0.365 482 A C 0.680 178.251 177.584 -0.021 0.000 1.621 482 A CA 2.502 54.516 52.037 -0.039 0.000 1.021 482 A CB -1.991 16.970 19.000 -0.066 0.000 1.485 482 A HN 0.542 nan 8.150 nan 0.000 0.685 483 K N 1.819 122.218 120.400 -0.000 0.000 2.323 483 K HA 0.282 4.602 4.320 -0.000 0.000 0.262 483 K C 1.207 177.816 176.600 0.014 0.000 1.238 483 K CA 2.116 58.417 56.287 0.023 0.000 1.249 483 K CB -1.030 31.503 32.500 0.055 0.000 0.805 483 K HN 2.244 nan 8.250 nan 0.000 0.489 484 G N 2.937 111.742 108.800 0.009 0.000 2.313 484 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.215 484 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.215 484 G C -0.088 174.805 174.900 -0.012 0.000 1.023 484 G CA 0.150 45.249 45.100 -0.002 0.000 0.626 484 G HN 0.677 nan 8.290 nan 0.000 0.503 485 K N 1.387 121.776 120.400 -0.018 0.000 2.118 485 K HA 0.575 4.895 4.320 -0.000 0.000 0.267 485 K C 0.009 176.591 176.600 -0.030 0.000 0.991 485 K CA -0.588 55.685 56.287 -0.023 0.000 0.916 485 K CB 0.635 33.120 32.500 -0.024 0.000 1.041 485 K HN 0.175 nan 8.250 nan 0.000 0.455 486 K N 2.988 123.371 120.400 -0.027 0.000 2.098 486 K HA 0.287 4.607 4.320 -0.000 0.000 0.261 486 K C 0.091 176.670 176.600 -0.036 0.000 0.987 486 K CA -0.645 55.622 56.287 -0.034 0.000 0.916 486 K CB 0.878 33.364 32.500 -0.024 0.000 1.039 486 K HN 0.538 nan 8.250 nan 0.000 0.455 487 I N 3.193 123.734 120.570 -0.048 0.000 2.880 487 I HA -0.112 4.058 4.170 -0.000 0.000 0.296 487 I C 1.054 177.164 176.117 -0.013 0.000 1.220 487 I CA 0.505 61.781 61.300 -0.040 0.000 1.435 487 I CB 0.100 38.069 38.000 -0.051 0.000 1.339 487 I HN 0.389 nan 8.210 nan 0.000 0.583 488 R N 3.718 124.219 120.500 0.002 0.000 2.641 488 R HA 0.058 4.398 4.340 -0.000 0.000 0.269 488 R C 0.239 176.564 176.300 0.041 0.000 1.074 488 R CA -0.714 55.399 56.100 0.023 0.000 1.133 488 R CB 0.201 30.522 30.300 0.036 0.000 1.029 488 R HN 0.545 nan 8.270 nan 0.000 0.488 489 N N 0.940 119.664 118.700 0.040 0.000 2.412 489 N HA -0.093 4.647 4.740 -0.000 0.000 0.258 489 N C 1.019 176.574 175.510 0.075 0.000 1.236 489 N CA 0.280 53.358 53.050 0.047 0.000 0.882 489 N CB 0.777 39.285 38.487 0.034 0.000 1.066 489 N HN 0.330 nan 8.380 nan 0.000 0.465 490 V N 3.526 123.493 119.914 0.088 0.000 2.215 490 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 490 V C 2.107 178.250 176.094 0.083 0.000 1.054 490 V CA 2.124 64.500 62.300 0.127 0.000 1.012 490 V CB -0.627 31.263 31.823 0.110 0.000 0.639 490 V HN 0.713 nan 8.190 nan 0.000 0.448 491 E N -0.021 120.206 120.200 0.045 0.000 2.097 491 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 491 E C 2.119 178.727 176.600 0.013 0.000 1.000 491 E CA 1.528 57.937 56.400 0.015 0.000 0.804 491 E CB -0.451 29.257 29.700 0.013 0.000 0.740 491 E HN 0.721 nan 8.360 nan 0.000 0.454 492 E N 0.429 120.647 120.200 0.030 0.000 2.268 492 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 492 E C 1.915 178.543 176.600 0.047 0.000 0.995 492 E CA 0.758 57.178 56.400 0.032 0.000 0.836 492 E CB -0.008 29.712 29.700 0.034 0.000 0.763 492 E HN 0.236 nan 8.360 nan 0.000 0.491 493 A N 0.965 123.828 122.820 0.073 0.000 1.854 493 A HA -0.097 4.223 4.320 -0.000 0.000 0.214 493 A C 2.135 179.726 177.584 0.011 0.000 1.192 493 A CA 0.715 52.831 52.037 0.131 0.000 0.611 493 A CB -0.527 18.658 19.000 0.309 0.000 0.832 493 A HN 0.113 nan 8.150 nan 0.000 0.442 494 L N -0.306 120.827 121.223 -0.151 0.000 2.079 494 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 494 L C 2.603 179.405 176.870 -0.113 0.000 1.081 494 L CA 1.900 56.551 54.840 -0.315 0.000 0.752 494 L CB -0.493 41.401 42.059 -0.275 0.000 0.896 494 L HN 0.455 nan 8.230 nan 0.000 0.433 495 K N -0.158 120.216 120.400 -0.045 0.000 2.074 495 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 495 K C 2.021 178.633 176.600 0.019 0.000 1.048 495 K CA 2.027 58.306 56.287 -0.013 0.000 0.926 495 K CB -0.075 32.426 32.500 0.001 0.000 0.713 495 K HN 0.252 nan 8.250 nan 0.000 0.444 496 T N -0.040 114.554 114.554 0.066 0.000 2.737 496 T HA -0.160 4.190 4.350 -0.000 0.000 0.265 496 T C 1.482 176.311 174.700 0.215 0.000 1.038 496 T CA 1.362 63.558 62.100 0.160 0.000 1.144 496 T CB -0.464 68.507 68.868 0.172 0.000 0.866 496 T HN 0.297 nan 8.240 nan 0.000 0.434 497 Y N 2.080 122.370 120.300 -0.016 0.000 2.128 497 Y HA -0.134 4.416 4.550 -0.000 0.000 0.284 497 Y C 2.544 178.414 175.900 -0.050 0.000 1.154 497 Y CA 1.254 59.306 58.100 -0.079 0.000 1.149 497 Y CB -0.240 38.005 38.460 -0.359 0.000 0.976 497 Y HN 0.090 nan 8.280 nan 0.000 0.505 498 E N 0.407 120.562 120.200 -0.076 0.000 2.160 498 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 498 E C 2.035 178.553 176.600 -0.137 0.000 0.991 498 E CA 1.349 57.689 56.400 -0.100 0.000 0.810 498 E CB -0.127 29.544 29.700 -0.048 0.000 0.742 498 E HN 0.553 nan 8.360 nan 0.000 0.466 499 K N -0.454 119.867 120.400 -0.132 0.000 2.031 499 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 499 K C 1.751 178.128 176.600 -0.371 0.000 1.049 499 K CA 0.974 57.114 56.287 -0.245 0.000 0.939 499 K CB -0.172 32.154 32.500 -0.291 0.000 0.717 499 K HN 0.157 nan 8.250 nan 0.000 0.438 500 Y N 0.768 120.951 120.300 -0.195 0.000 2.477 500 Y HA 0.010 4.560 4.550 -0.000 0.000 0.303 500 Y C 1.944 177.654 175.900 -0.316 0.000 1.202 500 Y CA -0.066 57.905 58.100 -0.215 0.000 1.282 500 Y CB -0.119 38.232 38.460 -0.182 0.000 1.071 500 Y HN -0.022 nan 8.280 nan 0.000 0.510 501 R N 1.873 122.219 120.500 -0.257 0.000 2.147 501 R HA -0.131 4.209 4.340 -0.000 0.000 0.225 501 R C 1.411 177.643 176.300 -0.113 0.000 1.120 501 R CA 1.651 57.610 56.100 -0.236 0.000 0.891 501 R CB -1.007 29.211 30.300 -0.136 0.000 0.822 501 R HN 0.152 nan 8.270 nan 0.000 0.433 502 A N 0.115 122.882 122.820 -0.088 0.000 3.004 502 A HA 0.093 4.413 4.320 -0.000 0.000 0.252 502 A C -0.149 177.392 177.584 -0.071 0.000 1.802 502 A CA 0.666 52.666 52.037 -0.062 0.000 1.424 502 A CB -0.570 18.394 19.000 -0.060 0.000 1.005 502 A HN 0.549 nan 8.150 nan 0.000 0.631 503 D N -0.832 119.532 120.400 -0.061 0.000 2.348 503 D HA -0.006 4.634 4.640 -0.000 0.000 0.115 503 D C 1.356 177.621 176.300 -0.060 0.000 1.491 503 D CA -0.139 53.819 54.000 -0.070 0.000 1.321 503 D CB -0.034 40.753 40.800 -0.023 0.000 2.433 503 D HN 0.262 nan 8.370 nan 0.000 0.244 504 I N 1.980 122.567 120.570 0.029 0.000 2.800 504 I HA -0.134 4.036 4.170 -0.000 0.000 0.266 504 I C 1.116 177.363 176.117 0.216 0.000 1.249 504 I CA 1.529 62.939 61.300 0.183 0.000 1.458 504 I CB -0.902 37.188 38.000 0.151 0.000 1.093 504 I HN 0.119 nan 8.210 nan 0.000 0.466 505 N N -0.351 118.407 118.700 0.098 0.000 2.332 505 N HA -0.038 4.702 4.740 -0.000 0.000 0.190 505 N C 1.843 177.377 175.510 0.040 0.000 1.117 505 N CA -0.156 52.967 53.050 0.123 0.000 0.883 505 N CB 0.579 39.141 38.487 0.126 0.000 1.089 505 N HN 0.228 nan 8.380 nan 0.000 0.480 506 K N 2.117 122.500 120.400 -0.029 0.000 1.963 506 K HA -0.155 4.165 4.320 -0.000 0.000 0.216 506 K C 1.041 177.572 176.600 -0.116 0.000 1.045 506 K CA 1.206 57.452 56.287 -0.069 0.000 0.954 506 K CB 0.068 32.512 32.500 -0.094 0.000 0.732 506 K HN -0.215 nan 8.250 nan 0.000 0.442 507 K N 0.330 120.587 120.400 -0.237 0.000 2.303 507 K HA -0.216 4.104 4.320 -0.000 0.000 0.223 507 K C 1.095 177.566 176.600 -0.215 0.000 0.745 507 K CA 1.775 57.839 56.287 -0.372 0.000 0.940 507 K CB -0.910 31.055 32.500 -0.892 0.000 0.518 507 K HN 0.461 nan 8.250 nan 0.000 0.861 508 I N 1.529 122.011 120.570 -0.148 0.000 2.540 508 I HA 0.189 4.359 4.170 -0.000 0.000 0.280 508 I C -0.816 175.374 176.117 0.121 0.000 1.083 508 I CA -0.119 61.187 61.300 0.011 0.000 1.080 508 I CB 1.307 39.342 38.000 0.058 0.000 1.205 508 I HN 0.271 nan 8.210 nan 0.000 0.459 509 N N 4.503 123.255 118.700 0.087 0.000 2.710 509 N HA 0.456 5.196 4.740 -0.000 0.000 0.244 509 N C 0.249 175.803 175.510 0.074 0.000 1.321 509 N CA 0.014 53.133 53.050 0.116 0.000 0.758 509 N CB 2.479 41.051 38.487 0.142 0.000 1.284 509 N HN 0.662 nan 8.380 nan 0.000 0.530 510 A N 1.556 124.414 122.820 0.063 0.000 2.284 510 A HA 0.232 4.552 4.320 -0.000 0.000 0.219 510 A C 1.530 179.138 177.584 0.041 0.000 2.353 510 A CA 0.516 52.578 52.037 0.043 0.000 1.164 510 A CB 0.105 19.124 19.000 0.033 0.000 1.293 510 A HN 0.198 nan 8.150 nan 0.000 0.586 511 K N 0.468 120.891 120.400 0.038 0.000 2.137 511 K HA 0.039 4.359 4.320 -0.000 0.000 0.202 511 K C 1.274 177.898 176.600 0.041 0.000 1.052 511 K CA 1.113 57.420 56.287 0.034 0.000 0.961 511 K CB -0.210 32.307 32.500 0.029 0.000 0.741 511 K HN 0.380 nan 8.250 nan 0.000 0.452 512 D N 1.118 121.549 120.400 0.052 0.000 2.191 512 D HA -0.268 4.372 4.640 -0.000 0.000 0.190 512 D C 1.784 178.122 176.300 0.063 0.000 1.007 512 D CA 1.574 55.611 54.000 0.062 0.000 0.865 512 D CB -0.153 40.699 40.800 0.086 0.000 0.929 512 D HN 0.225 nan 8.370 nan 0.000 0.447 513 R N 0.707 121.249 120.500 0.071 0.000 2.082 513 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 513 R C 2.163 178.490 176.300 0.045 0.000 1.136 513 R CA 1.966 58.109 56.100 0.071 0.000 0.935 513 R CB -0.482 29.863 30.300 0.074 0.000 0.842 513 R HN 0.136 nan 8.270 nan 0.000 0.430 514 A N 0.444 123.284 122.820 0.033 0.000 2.024 514 A HA -0.110 4.209 4.320 -0.000 0.000 0.220 514 A C 2.336 179.932 177.584 0.021 0.000 1.164 514 A CA 1.791 53.841 52.037 0.020 0.000 0.643 514 A CB -0.779 18.231 19.000 0.017 0.000 0.806 514 A HN 0.643 nan 8.150 nan 0.000 0.451 515 A N 0.000 122.837 122.820 0.028 0.000 1.854 515 A HA 0.011 4.331 4.320 -0.000 0.000 0.214 515 A C 2.078 179.676 177.584 0.024 0.000 1.192 515 A CA 1.260 53.313 52.037 0.026 0.000 0.611 515 A CB -0.584 18.434 19.000 0.031 0.000 0.832 515 A HN 0.445 nan 8.150 nan 0.000 0.442 516 I N -0.036 120.552 120.570 0.030 0.000 2.194 516 I HA -0.365 3.805 4.170 -0.000 0.000 0.246 516 I C 2.942 179.068 176.117 0.016 0.000 1.093 516 I CA 1.220 62.535 61.300 0.025 0.000 1.355 516 I CB -0.365 37.661 38.000 0.044 0.000 1.046 516 I HN 0.413 nan 8.210 nan 0.000 0.413 517 A N 0.711 123.542 122.820 0.020 0.000 1.825 517 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 517 A C 2.589 180.176 177.584 0.004 0.000 1.206 517 A CA 1.812 53.854 52.037 0.009 0.000 0.609 517 A CB -1.210 17.791 19.000 0.001 0.000 0.851 517 A HN 0.401 nan 8.150 nan 0.000 0.445 518 A N -0.173 122.652 122.820 0.007 0.000 1.940 518 A HA -0.052 4.268 4.320 -0.000 0.000 0.221 518 A C 2.523 180.113 177.584 0.009 0.000 1.190 518 A CA 2.996 55.038 52.037 0.008 0.000 0.647 518 A CB -1.258 17.748 19.000 0.010 0.000 0.821 518 A HN 1.279 nan 8.150 nan 0.000 0.457 519 A N -1.027 121.799 122.820 0.010 0.000 1.883 519 A HA -0.048 4.271 4.320 -0.000 0.000 0.217 519 A C 2.110 179.695 177.584 0.002 0.000 1.186 519 A CA 1.807 53.850 52.037 0.011 0.000 0.624 519 A CB -0.648 18.361 19.000 0.015 0.000 0.822 519 A HN 0.481 nan 8.150 nan 0.000 0.444 520 L N -0.043 121.172 121.223 -0.014 0.000 2.012 520 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 520 L C 2.421 179.285 176.870 -0.009 0.000 1.073 520 L CA 2.413 57.230 54.840 -0.040 0.000 0.748 520 L CB -0.791 41.222 42.059 -0.075 0.000 0.891 520 L HN 0.537 nan 8.230 nan 0.000 0.431 521 E N -1.092 119.110 120.200 0.003 0.000 2.033 521 E HA -0.228 4.122 4.350 -0.000 0.000 0.199 521 E C 1.817 178.429 176.600 0.020 0.000 1.011 521 E CA 1.618 58.027 56.400 0.015 0.000 0.815 521 E CB -0.315 29.392 29.700 0.012 0.000 0.755 521 E HN 0.335 nan 8.360 nan 0.000 0.451 522 S N 0.835 116.545 115.700 0.017 0.000 2.776 522 S HA -0.053 4.417 4.470 -0.000 0.000 0.242 522 S C 0.481 175.095 174.600 0.024 0.000 0.977 522 S CA 0.136 58.348 58.200 0.020 0.000 0.985 522 S CB -1.016 62.195 63.200 0.019 0.000 0.782 522 S HN 0.218 nan 8.310 nan 0.000 0.542 523 V N -0.321 119.609 119.914 0.028 0.000 2.583 523 V HA 0.417 4.537 4.120 -0.000 0.000 0.287 523 V C -0.221 175.894 176.094 0.035 0.000 1.051 523 V CA -0.968 61.353 62.300 0.034 0.000 1.010 523 V CB 0.779 32.626 31.823 0.039 0.000 0.988 523 V HN 0.113 nan 8.190 nan 0.000 0.478 524 K N 4.588 125.008 120.400 0.033 0.000 2.296 524 K HA 0.356 4.676 4.320 -0.000 0.000 0.257 524 K C 0.535 177.152 176.600 0.029 0.000 1.088 524 K CA -0.549 55.756 56.287 0.029 0.000 0.980 524 K CB 1.265 33.780 32.500 0.024 0.000 1.430 524 K HN 0.668 nan 8.250 nan 0.000 0.441 525 L N 2.376 123.618 121.223 0.032 0.000 2.010 525 L HA -0.357 3.983 4.340 -0.000 0.000 0.219 525 L C 1.924 178.804 176.870 0.016 0.000 1.077 525 L CA 2.398 57.253 54.840 0.026 0.000 0.773 525 L CB -0.823 41.254 42.059 0.030 0.000 0.892 525 L HN 0.746 nan 8.230 nan 0.000 0.436 526 S N -1.105 114.606 115.700 0.017 0.000 2.381 526 S HA -0.285 4.185 4.470 -0.000 0.000 0.230 526 S C 1.729 176.334 174.600 0.008 0.000 1.052 526 S CA 1.606 59.813 58.200 0.012 0.000 1.068 526 S CB -1.132 62.076 63.200 0.013 0.000 0.918 526 S HN 0.593 nan 8.310 nan 0.000 0.448 527 D N 2.163 122.570 120.400 0.012 0.000 2.097 527 D HA 0.012 4.652 4.640 -0.000 0.000 0.197 527 D C 2.020 178.328 176.300 0.013 0.000 0.984 527 D CA 1.413 55.419 54.000 0.010 0.000 0.826 527 D CB -0.477 40.332 40.800 0.016 0.000 0.973 527 D HN 0.740 nan 8.370 nan 0.000 0.460 528 I N -1.365 119.219 120.570 0.024 0.000 3.111 528 I HA -0.029 4.141 4.170 -0.000 0.000 0.272 528 I C 2.090 178.218 176.117 0.018 0.000 1.268 528 I CA 0.498 61.820 61.300 0.037 0.000 1.467 528 I CB 0.021 38.051 38.000 0.051 0.000 1.087 528 I HN -0.205 nan 8.210 nan 0.000 0.467 529 S N 1.790 117.489 115.700 -0.002 0.000 2.368 529 S HA -0.259 4.211 4.470 -0.000 0.000 0.226 529 S C 2.173 176.768 174.600 -0.008 0.000 1.044 529 S CA 2.504 60.694 58.200 -0.016 0.000 1.062 529 S CB -0.586 62.610 63.200 -0.007 0.000 0.931 529 S HN 0.723 nan 8.310 nan 0.000 0.440 530 S N 2.267 117.958 115.700 -0.016 0.000 2.374 530 S HA -0.130 4.340 4.470 -0.000 0.000 0.227 530 S C 1.839 176.412 174.600 -0.046 0.000 1.037 530 S CA 1.398 59.574 58.200 -0.040 0.000 1.024 530 S CB -0.782 62.373 63.200 -0.076 0.000 0.861 530 S HN 0.609 nan 8.310 nan 0.000 0.456 531 N N 1.431 120.121 118.700 -0.016 0.000 2.104 531 N HA -0.103 4.637 4.740 -0.000 0.000 0.190 531 N C 1.749 177.391 175.510 0.220 0.000 1.024 531 N CA 1.050 54.145 53.050 0.075 0.000 0.853 531 N CB -0.598 38.041 38.487 0.253 0.000 1.008 531 N HN 0.262 nan 8.380 nan 0.000 0.424 532 L N 2.286 123.606 121.223 0.162 0.000 2.042 532 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 532 L C 1.691 178.662 176.870 0.169 0.000 1.076 532 L CA 1.689 56.601 54.840 0.120 0.000 0.749 532 L CB -0.857 41.115 42.059 -0.145 0.000 0.893 532 L HN 0.096 nan 8.230 nan 0.000 0.432 533 N N -0.207 118.561 118.700 0.113 0.000 2.166 533 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 533 N C 1.911 177.496 175.510 0.125 0.000 1.019 533 N CA 1.441 54.567 53.050 0.127 0.000 0.856 533 N CB -0.184 38.343 38.487 0.066 0.000 0.993 533 N HN 0.476 nan 8.380 nan 0.000 0.426 534 R N -0.197 120.349 120.500 0.077 0.000 2.066 534 R HA -0.027 4.313 4.340 -0.000 0.000 0.232 534 R C 2.095 178.504 176.300 0.183 0.000 1.131 534 R CA 0.926 57.068 56.100 0.069 0.000 0.955 534 R CB -0.464 29.793 30.300 -0.072 0.000 0.851 534 R HN 0.139 nan 8.270 nan 0.000 0.432 535 F N 1.422 121.538 119.950 0.277 0.000 2.046 535 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 535 F C 2.724 178.617 175.800 0.155 0.000 1.123 535 F CA 1.383 59.484 58.000 0.167 0.000 1.199 535 F CB -0.953 38.098 39.000 0.086 0.000 0.972 535 F HN -0.068 nan 8.300 nan 0.000 0.474 536 S N -0.251 115.682 115.700 0.387 0.000 2.381 536 S HA -0.354 4.116 4.470 -0.000 0.000 0.230 536 S C 2.072 176.825 174.600 0.255 0.000 1.052 536 S CA 1.987 60.399 58.200 0.354 0.000 1.068 536 S CB -0.485 62.978 63.200 0.440 0.000 0.918 536 S HN 0.232 nan 8.310 nan 0.000 0.448 537 R N 1.113 121.737 120.500 0.207 0.000 2.070 537 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 537 R C 2.457 178.861 176.300 0.173 0.000 1.138 537 R CA 1.823 58.013 56.100 0.150 0.000 0.936 537 R CB -1.232 29.138 30.300 0.117 0.000 0.839 537 R HN 0.388 nan 8.270 nan 0.000 0.429 538 G N -0.124 108.802 108.800 0.209 0.000 2.462 538 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 538 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 538 G C 1.193 176.230 174.900 0.229 0.000 1.121 538 G CA 1.029 46.265 45.100 0.227 0.000 0.758 538 G HN 0.350 nan 8.290 nan 0.000 0.559 539 L N -0.880 120.476 121.223 0.223 0.000 2.638 539 L HA 0.352 4.692 4.340 -0.000 0.000 0.232 539 L C 1.895 178.850 176.870 0.143 0.000 1.099 539 L CA 0.498 55.442 54.840 0.173 0.000 0.883 539 L CB 0.492 42.627 42.059 0.126 0.000 1.136 539 L HN 0.347 nan 8.230 nan 0.000 0.492 540 G N -0.505 108.386 108.800 0.152 0.000 2.184 540 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.206 540 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.206 540 G C -0.242 174.743 174.900 0.142 0.000 0.995 540 G CA -0.429 44.746 45.100 0.126 0.000 0.651 540 G HN 0.193 nan 8.290 nan 0.000 0.511 541 Y N 1.188 121.509 120.300 0.035 0.000 2.341 541 Y HA 0.676 5.226 4.550 -0.000 0.000 0.337 541 Y C -0.148 175.752 175.900 0.001 0.000 1.014 541 Y CA -0.730 57.368 58.100 -0.004 0.000 1.111 541 Y CB 1.869 40.314 38.460 -0.026 0.000 1.194 541 Y HN 0.818 nan 8.280 nan 0.000 0.462 542 A N 4.562 126.857 122.820 -0.875 0.000 2.679 542 A HA 0.686 5.006 4.320 -0.000 0.000 0.288 542 A C -0.402 176.664 177.584 -0.863 0.000 1.160 542 A CA 0.242 51.870 52.037 -0.683 0.000 0.763 542 A CB 0.209 19.044 19.000 -0.275 0.000 1.270 542 A HN 1.143 nan 8.150 nan 0.000 0.417 543 G N 0.825 108.968 108.800 -1.094 0.000 3.551 543 G HA2 0.594 4.554 3.960 -0.000 0.000 0.174 543 G HA3 0.594 4.554 3.960 -0.000 0.000 0.174 543 G C -0.603 174.108 174.900 -0.316 0.000 1.280 543 G CA 0.042 44.778 45.100 -0.606 0.000 1.236 543 G HN 0.766 nan 8.290 nan 0.000 0.731 544 K N 0.116 120.405 120.400 -0.185 0.000 2.587 544 K HA 0.455 4.775 4.320 -0.000 0.000 0.256 544 K C -1.544 174.964 176.600 -0.154 0.000 0.974 544 K CA -0.603 55.617 56.287 -0.113 0.000 0.855 544 K CB 1.167 33.646 32.500 -0.036 0.000 1.292 544 K HN 0.174 nan 8.250 nan 0.000 0.444 545 F N 1.077 121.081 119.950 0.089 0.000 2.399 545 F HA 0.307 4.834 4.527 -0.000 0.000 0.313 545 F C 1.614 177.416 175.800 0.002 0.000 1.202 545 F CA 0.165 58.170 58.000 0.008 0.000 1.192 545 F CB 1.408 40.390 39.000 -0.030 0.000 1.256 545 F HN 0.599 nan 8.300 nan 0.000 0.558 546 T N -1.870 112.780 114.554 0.161 0.000 3.336 546 T HA 0.022 4.372 4.350 -0.000 0.000 0.273 546 T C 0.475 175.230 174.700 0.092 0.000 0.932 546 T CA 0.089 62.250 62.100 0.101 0.000 0.995 546 T CB 0.215 69.120 68.868 0.062 0.000 1.213 546 T HN 0.352 nan 8.240 nan 0.000 0.502 547 S N 1.599 117.355 115.700 0.093 0.000 2.592 547 S HA 0.422 4.892 4.470 -0.000 0.000 0.243 547 S C 1.362 176.046 174.600 0.139 0.000 1.160 547 S CA -0.254 58.012 58.200 0.109 0.000 1.145 547 S CB -0.078 63.192 63.200 0.117 0.000 0.909 547 S HN 0.241 nan 8.310 nan 0.000 0.487 548 L N 0.866 122.149 121.223 0.101 0.000 2.081 548 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 548 L C 2.800 179.771 176.870 0.169 0.000 1.080 548 L CA 1.642 56.543 54.840 0.101 0.000 0.754 548 L CB -0.674 41.374 42.059 -0.017 0.000 0.893 548 L HN 0.543 nan 8.230 nan 0.000 0.433 549 A N 0.248 123.142 122.820 0.123 0.000 1.883 549 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 549 A C 1.795 179.466 177.584 0.144 0.000 1.186 549 A CA 2.246 54.352 52.037 0.114 0.000 0.624 549 A CB -0.568 18.481 19.000 0.081 0.000 0.822 549 A HN 0.394 nan 8.150 nan 0.000 0.444 550 D N -1.597 118.896 120.400 0.155 0.000 2.075 550 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 550 D C 1.449 177.879 176.300 0.215 0.000 0.985 550 D CA 1.265 55.357 54.000 0.153 0.000 0.834 550 D CB -0.559 40.324 40.800 0.139 0.000 0.987 550 D HN 0.645 nan 8.370 nan 0.000 0.452 551 W N 1.549 122.891 121.300 0.070 0.000 2.278 551 W HA -0.342 4.318 4.660 -0.000 0.000 0.339 551 W C 2.141 178.756 176.519 0.161 0.000 1.348 551 W CA 2.100 59.503 57.345 0.096 0.000 1.289 551 W CB -0.770 28.747 29.460 0.096 0.000 1.124 551 W HN -0.036 nan 8.180 nan 0.000 0.469 552 I N -0.424 120.424 120.570 0.463 0.000 2.113 552 I HA -0.472 3.698 4.170 -0.000 0.000 0.242 552 I C 2.371 178.567 176.117 0.131 0.000 1.064 552 I CA 2.269 63.733 61.300 0.273 0.000 1.320 552 I CB -1.346 36.796 38.000 0.236 0.000 1.028 552 I HN 0.053 nan 8.210 nan 0.000 0.406 553 T N 0.295 114.918 114.554 0.115 0.000 2.607 553 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 553 T C 1.812 176.530 174.700 0.031 0.000 1.049 553 T CA 1.614 63.752 62.100 0.064 0.000 1.162 553 T CB -0.322 68.583 68.868 0.061 0.000 0.863 553 T HN 0.339 nan 8.240 nan 0.000 0.424 554 E N 0.587 120.794 120.200 0.011 0.000 2.097 554 E HA -0.111 4.239 4.350 -0.000 0.000 0.196 554 E C 1.947 178.491 176.600 -0.094 0.000 1.000 554 E CA 0.907 57.274 56.400 -0.056 0.000 0.804 554 E CB -0.620 29.028 29.700 -0.086 0.000 0.740 554 E HN 0.438 nan 8.360 nan 0.000 0.454 555 F N 1.375 121.153 119.950 -0.288 0.000 2.120 555 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 555 F C 2.277 177.960 175.800 -0.195 0.000 1.095 555 F CA 1.605 59.413 58.000 -0.320 0.000 1.249 555 F CB -0.785 37.935 39.000 -0.466 0.000 0.995 555 F HN 0.047 nan 8.300 nan 0.000 0.480 556 G N -0.593 108.266 108.800 0.099 0.000 2.524 556 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.215 556 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.215 556 G C 1.712 176.590 174.900 -0.036 0.000 1.239 556 G CA 0.853 45.971 45.100 0.029 0.000 0.798 556 G HN 0.362 nan 8.290 nan 0.000 0.557 557 K N 0.762 121.129 120.400 -0.054 0.000 2.144 557 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 557 K C 2.629 179.122 176.600 -0.178 0.000 1.047 557 K CA 1.699 57.931 56.287 -0.091 0.000 0.927 557 K CB -0.413 32.041 32.500 -0.076 0.000 0.716 557 K HN 0.226 nan 8.250 nan 0.000 0.454 558 A N 0.634 123.313 122.820 -0.234 0.000 1.908 558 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 558 A C 2.204 179.388 177.584 -0.666 0.000 1.181 558 A CA 1.874 53.613 52.037 -0.497 0.000 0.627 558 A CB -0.567 18.137 19.000 -0.495 0.000 0.818 558 A HN 0.206 nan 8.150 nan 0.000 0.445 559 V N -0.518 119.194 119.914 -0.337 0.000 2.809 559 V HA -0.156 3.964 4.120 -0.000 0.000 0.256 559 V C 2.484 178.483 176.094 -0.158 0.000 1.080 559 V CA 1.832 64.005 62.300 -0.213 0.000 1.102 559 V CB -0.824 31.010 31.823 0.018 0.000 0.705 559 V HN 0.483 nan 8.190 nan 0.000 0.475 560 R N 0.547 120.956 120.500 -0.153 0.000 2.043 560 R HA 0.032 4.372 4.340 -0.000 0.000 0.221 560 R C 1.171 177.389 176.300 -0.138 0.000 1.196 560 R CA 1.251 57.290 56.100 -0.103 0.000 0.949 560 R CB -0.582 29.675 30.300 -0.072 0.000 0.838 560 R HN 0.569 nan 8.270 nan 0.000 0.446 561 T N 0.643 115.097 114.554 -0.165 0.000 2.779 561 T HA 0.116 4.466 4.350 -0.000 0.000 0.296 561 T C 0.342 174.865 174.700 -0.295 0.000 0.938 561 T CA -0.317 61.682 62.100 -0.168 0.000 1.119 561 T CB 1.295 70.079 68.868 -0.140 0.000 0.891 561 T HN 0.136 nan 8.240 nan 0.000 0.526 562 E N 2.330 122.372 120.200 -0.262 0.000 2.528 562 E HA -0.046 4.304 4.350 -0.000 0.000 0.237 562 E C 1.116 177.465 176.600 -0.418 0.000 1.408 562 E CA -0.289 55.862 56.400 -0.416 0.000 1.571 562 E CB -0.071 29.566 29.700 -0.105 0.000 1.395 562 E HN 0.585 nan 8.360 nan 0.000 0.438 563 N N 0.275 118.745 118.700 -0.383 0.000 2.039 563 N HA -0.215 4.525 4.740 -0.000 0.000 0.193 563 N C 0.612 176.109 175.510 -0.022 0.000 1.044 563 N CA 1.511 54.460 53.050 -0.169 0.000 0.847 563 N CB 0.034 38.444 38.487 -0.130 0.000 1.030 563 N HN 0.443 nan 8.380 nan 0.000 0.422 564 W N -0.545 120.733 121.300 -0.036 0.000 1.135 564 W HA -0.384 4.275 4.660 -0.000 0.000 0.224 564 W C 2.064 178.571 176.519 -0.019 0.000 0.934 564 W CA 1.121 58.437 57.345 -0.049 0.000 0.370 564 W CB -1.432 27.916 29.460 -0.185 0.000 1.931 564 W HN 0.150 nan 8.180 nan 0.000 1.394 565 R N 1.339 121.935 120.500 0.159 0.000 2.096 565 R HA -0.188 4.152 4.340 -0.000 0.000 0.229 565 R C -0.234 176.154 176.300 0.147 0.000 1.134 565 R CA 2.641 58.805 56.100 0.107 0.000 0.917 565 R CB -1.541 28.789 30.300 0.050 0.000 0.832 565 R HN 0.125 nan 8.270 nan 0.000 0.430 566 P HA -0.210 nan 4.420 nan 0.000 0.216 566 P C 1.598 178.936 177.300 0.062 0.000 1.154 566 P CA 1.215 64.353 63.100 0.064 0.000 0.865 566 P CB -0.226 31.488 31.700 0.024 0.000 0.789 567 L N -0.956 120.291 121.223 0.040 0.000 2.017 567 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 567 L C 2.503 179.340 176.870 -0.055 0.000 1.073 567 L CA 1.854 56.620 54.840 -0.123 0.000 0.745 567 L CB -1.668 40.222 42.059 -0.283 0.000 0.894 567 L HN -0.244 nan 8.230 nan 0.000 0.432 568 F N -0.918 118.982 119.950 -0.083 0.000 2.134 568 F HA -0.163 4.363 4.527 -0.000 0.000 0.299 568 F C 2.432 178.243 175.800 0.018 0.000 1.097 568 F CA 1.625 59.599 58.000 -0.042 0.000 1.264 568 F CB -1.030 37.945 39.000 -0.043 0.000 1.001 568 F HN -0.091 nan 8.300 nan 0.000 0.479 569 V N -0.378 119.657 119.914 0.202 0.000 2.343 569 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 569 V C 2.387 178.553 176.094 0.119 0.000 1.051 569 V CA 1.878 64.258 62.300 0.134 0.000 1.036 569 V CB -0.613 31.271 31.823 0.101 0.000 0.654 569 V HN 0.154 nan 8.190 nan 0.000 0.451 570 K N 0.497 120.973 120.400 0.128 0.000 2.063 570 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 570 K C 2.128 178.870 176.600 0.236 0.000 1.048 570 K CA 2.107 58.499 56.287 0.176 0.000 0.928 570 K CB -0.712 31.909 32.500 0.202 0.000 0.713 570 K HN 0.573 nan 8.250 nan 0.000 0.442 571 T N 1.224 115.943 114.554 0.276 0.000 2.803 571 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 571 T C 1.269 176.015 174.700 0.077 0.000 1.052 571 T CA 1.254 63.505 62.100 0.251 0.000 1.136 571 T CB -0.222 68.802 68.868 0.260 0.000 0.864 571 T HN 0.253 nan 8.240 nan 0.000 0.467 572 E N 1.307 121.550 120.200 0.072 0.000 2.265 572 E HA -0.049 4.300 4.350 -0.000 0.000 0.196 572 E C 0.681 177.296 176.600 0.026 0.000 0.996 572 E CA 0.903 57.325 56.400 0.037 0.000 0.832 572 E CB -0.251 29.478 29.700 0.049 0.000 0.756 572 E HN 0.446 nan 8.360 nan 0.000 0.491 573 T N 0.949 115.532 114.554 0.049 0.000 3.427 573 T HA 0.391 4.740 4.350 -0.000 0.000 0.306 573 T C 1.099 175.823 174.700 0.041 0.000 1.733 573 T CA -0.240 61.885 62.100 0.041 0.000 1.599 573 T CB -0.305 68.596 68.868 0.055 0.000 0.964 573 T HN 0.192 nan 8.240 nan 0.000 0.701 574 I N -2.899 117.668 120.570 -0.004 0.000 5.139 574 I HA 0.499 4.669 4.170 -0.000 0.000 0.334 574 I C -0.290 175.804 176.117 -0.038 0.000 1.217 574 I CA -0.333 60.959 61.300 -0.014 0.000 1.448 574 I CB 0.481 38.423 38.000 -0.096 0.000 1.538 574 I HN 0.091 nan 8.210 nan 0.000 0.527 575 I N 2.565 123.066 120.570 -0.116 0.000 2.354 575 I HA 0.557 4.727 4.170 -0.000 0.000 0.292 575 I C 1.538 177.565 176.117 -0.150 0.000 0.989 575 I CA -0.454 60.702 61.300 -0.241 0.000 1.188 575 I CB 1.887 39.639 38.000 -0.412 0.000 1.342 575 I HN 0.209 nan 8.210 nan 0.000 0.457 576 A N 5.447 128.215 122.820 -0.087 0.000 1.912 576 A HA -0.231 4.088 4.320 -0.000 0.000 0.217 576 A C 2.047 179.633 177.584 0.003 0.000 1.309 576 A CA 2.410 54.441 52.037 -0.010 0.000 0.726 576 A CB -1.459 17.553 19.000 0.020 0.000 0.840 576 A HN 0.935 nan 8.150 nan 0.000 0.473 577 G N -1.728 107.113 108.800 0.069 0.000 2.776 577 G HA2 0.069 4.029 3.960 -0.000 0.000 0.209 577 G HA3 0.069 4.029 3.960 -0.000 0.000 0.209 577 G C 0.680 175.571 174.900 -0.015 0.000 1.145 577 G CA 1.113 46.238 45.100 0.041 0.000 0.791 577 G HN 0.865 nan 8.290 nan 0.000 0.530 578 N N -1.114 117.544 118.700 -0.070 0.000 2.714 578 N HA -0.189 4.551 4.740 -0.000 0.000 0.250 578 N C 0.422 175.862 175.510 -0.115 0.000 1.117 578 N CA 0.751 53.743 53.050 -0.097 0.000 0.719 578 N CB -1.417 37.039 38.487 -0.051 0.000 1.081 578 N HN 0.612 nan 8.380 nan 0.000 0.557 579 A N -0.221 122.504 122.820 -0.160 0.000 2.401 579 A HA 0.695 5.015 4.320 -0.000 0.000 0.259 579 A C 1.597 179.055 177.584 -0.210 0.000 1.103 579 A CA 0.408 52.357 52.037 -0.147 0.000 0.789 579 A CB 0.519 19.469 19.000 -0.084 0.000 1.035 579 A HN 0.550 nan 8.150 nan 0.000 0.491 580 A N 2.307 125.044 122.820 -0.139 0.000 1.902 580 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 580 A C 2.097 179.572 177.584 -0.182 0.000 1.181 580 A CA 2.413 54.364 52.037 -0.144 0.000 0.623 580 A CB -1.269 17.673 19.000 -0.097 0.000 0.818 580 A HN 0.841 nan 8.150 nan 0.000 0.443 581 T N 0.610 115.077 114.554 -0.145 0.000 2.714 581 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 581 T C 2.075 176.664 174.700 -0.186 0.000 1.036 581 T CA 1.876 63.901 62.100 -0.125 0.000 1.148 581 T CB -0.474 68.385 68.868 -0.014 0.000 0.856 581 T HN 0.647 nan 8.240 nan 0.000 0.462 582 A N 0.891 123.488 122.820 -0.372 0.000 1.897 582 A HA 0.083 4.403 4.320 -0.000 0.000 0.215 582 A C 2.218 179.685 177.584 -0.195 0.000 1.181 582 A CA 1.043 52.807 52.037 -0.454 0.000 0.620 582 A CB -0.737 17.392 19.000 -1.451 0.000 0.821 582 A HN 0.381 nan 8.150 nan 0.000 0.443 583 L N 0.198 121.265 121.223 -0.259 0.000 1.971 583 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 583 L C 2.450 179.159 176.870 -0.268 0.000 1.072 583 L CA 2.203 56.901 54.840 -0.236 0.000 0.758 583 L CB -0.750 41.196 42.059 -0.190 0.000 0.889 583 L HN 0.176 nan 8.230 nan 0.000 0.433 584 V N 0.187 119.903 119.914 -0.330 0.000 2.278 584 V HA -0.391 3.729 4.120 -0.000 0.000 0.251 584 V C 2.802 178.410 176.094 -0.809 0.000 1.062 584 V CA 1.919 63.872 62.300 -0.579 0.000 1.038 584 V CB -1.529 29.902 31.823 -0.653 0.000 0.646 584 V HN 0.664 nan 8.190 nan 0.000 0.447 585 A N -0.381 122.130 122.820 -0.515 0.000 1.908 585 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 585 A C 2.164 179.597 177.584 -0.251 0.000 1.181 585 A CA 2.270 54.108 52.037 -0.332 0.000 0.627 585 A CB -0.582 18.430 19.000 0.021 0.000 0.818 585 A HN 0.472 nan 8.150 nan 0.000 0.445 586 L N -0.038 121.033 121.223 -0.253 0.000 1.976 586 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 586 L C 2.402 179.181 176.870 -0.153 0.000 1.071 586 L CA 2.202 56.868 54.840 -0.291 0.000 0.746 586 L CB -0.840 40.955 42.059 -0.439 0.000 0.890 586 L HN 0.144 nan 8.230 nan 0.000 0.432 587 V N -0.218 119.632 119.914 -0.108 0.000 2.380 587 V HA -0.317 3.803 4.120 -0.000 0.000 0.251 587 V C 2.484 178.649 176.094 0.118 0.000 1.063 587 V CA 1.836 64.167 62.300 0.052 0.000 1.055 587 V CB -0.872 31.002 31.823 0.084 0.000 0.657 587 V HN 0.370 nan 8.190 nan 0.000 0.455 588 F N 0.981 120.734 119.950 -0.328 0.000 2.161 588 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 588 F C 2.647 178.194 175.800 -0.423 0.000 1.089 588 F CA 1.511 59.081 58.000 -0.717 0.000 1.282 588 F CB -1.294 36.674 39.000 -1.720 0.000 1.010 588 F HN 0.174 nan 8.300 nan 0.000 0.485 589 S N 0.466 116.177 115.700 0.019 0.000 2.355 589 S HA -0.123 4.347 4.470 -0.000 0.000 0.222 589 S C 2.264 176.954 174.600 0.150 0.000 1.031 589 S CA 1.123 59.437 58.200 0.190 0.000 0.993 589 S CB -0.496 62.781 63.200 0.127 0.000 0.859 589 S HN 0.285 nan 8.310 nan 0.000 0.453 590 I N 1.713 122.343 120.570 0.099 0.000 2.208 590 I HA -0.184 3.985 4.170 -0.000 0.000 0.245 590 I C 2.011 178.198 176.117 0.116 0.000 1.097 590 I CA 1.183 62.535 61.300 0.087 0.000 1.363 590 I CB -0.525 37.507 38.000 0.053 0.000 1.051 590 I HN 0.230 nan 8.210 nan 0.000 0.413 591 L N 0.053 121.378 121.223 0.170 0.000 2.265 591 L HA -0.155 4.185 4.340 -0.000 0.000 0.215 591 L C 2.176 179.188 176.870 0.237 0.000 1.117 591 L CA 1.197 56.176 54.840 0.232 0.000 0.782 591 L CB -0.718 41.557 42.059 0.361 0.000 0.914 591 L HN 0.239 nan 8.230 nan 0.000 0.441 592 T N -1.049 113.658 114.554 0.254 0.000 3.129 592 T HA 0.073 4.423 4.350 -0.000 0.000 0.251 592 T C 1.250 176.060 174.700 0.184 0.000 1.117 592 T CA 0.802 63.066 62.100 0.273 0.000 1.034 592 T CB 0.173 69.284 68.868 0.405 0.000 0.968 592 T HN 0.453 nan 8.240 nan 0.000 0.526 593 G N 0.264 109.148 108.800 0.140 0.000 4.432 593 G HA2 0.553 4.513 3.960 -0.000 0.000 0.294 593 G HA3 0.553 4.513 3.960 -0.000 0.000 0.294 593 G C -0.090 174.856 174.900 0.076 0.000 1.141 593 G CA -0.295 44.864 45.100 0.097 0.000 0.895 593 G HN 0.323 nan 8.290 nan 0.000 0.548 594 S N -1.754 113.996 115.700 0.083 0.000 3.003 594 S HA 0.787 5.257 4.470 -0.000 0.000 0.313 594 S C 0.641 175.286 174.600 0.075 0.000 1.230 594 S CA 0.193 58.433 58.200 0.067 0.000 0.977 594 S CB 1.062 64.296 63.200 0.058 0.000 1.340 594 S HN 0.533 nan 8.310 nan 0.000 0.608 595 A N -0.629 122.235 122.820 0.074 0.000 1.878 595 A HA 0.653 4.973 4.320 -0.000 0.000 0.201 595 A C 1.000 178.651 177.584 0.111 0.000 1.831 595 A CA 0.665 52.753 52.037 0.085 0.000 1.050 595 A CB -1.154 17.884 19.000 0.063 0.000 1.063 595 A HN 0.885 nan 8.150 nan 0.000 0.588 596 L N -2.002 119.266 121.223 0.076 0.000 3.415 596 L HA -0.336 4.004 4.340 -0.000 0.000 0.185 596 L C 1.321 178.219 176.870 0.046 0.000 4.448 596 L CA 1.716 56.590 54.840 0.056 0.000 0.483 596 L CB -2.175 39.916 42.059 0.053 0.000 3.552 596 L HN 1.960 nan 8.230 nan 0.000 0.712 597 G N -1.392 107.458 108.800 0.084 0.000 2.707 597 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.686 597 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.686 597 G C 0.142 174.886 174.900 -0.259 0.000 1.315 597 G CA -0.082 45.038 45.100 0.034 0.000 0.832 597 G HN 0.432 nan 8.290 nan 0.000 0.573 598 I N 0.262 120.634 120.570 -0.331 0.000 2.290 598 I HA -0.241 3.928 4.170 -0.000 0.000 0.253 598 I C 2.534 178.429 176.117 -0.369 0.000 1.112 598 I CA 1.660 62.708 61.300 -0.420 0.000 1.377 598 I CB -0.145 37.783 38.000 -0.119 0.000 1.060 598 I HN 0.536 nan 8.210 nan 0.000 0.428 599 I N 0.265 120.706 120.570 -0.214 0.000 2.233 599 I HA -0.140 4.030 4.170 -0.000 0.000 0.243 599 I C 2.675 178.519 176.117 -0.454 0.000 1.093 599 I CA 1.584 62.721 61.300 -0.272 0.000 1.380 599 I CB -2.200 35.839 38.000 0.065 0.000 1.067 599 I HN 0.260 nan 8.210 nan 0.000 0.413 600 G N 0.240 108.903 108.800 -0.228 0.000 2.480 600 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.216 600 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.216 600 G C 1.744 176.538 174.900 -0.177 0.000 1.200 600 G CA 0.859 45.867 45.100 -0.152 0.000 0.782 600 G HN 0.311 nan 8.290 nan 0.000 0.554 601 Y N 2.307 122.402 120.300 -0.341 0.000 2.102 601 Y HA -0.202 4.348 4.550 -0.000 0.000 0.280 601 Y C 2.689 178.446 175.900 -0.237 0.000 1.178 601 Y CA 1.628 59.571 58.100 -0.262 0.000 1.146 601 Y CB -0.807 37.372 38.460 -0.468 0.000 0.968 601 Y HN 0.139 nan 8.280 nan 0.000 0.504 602 G N 0.452 108.924 108.800 -0.547 0.000 2.701 602 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.215 602 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.215 602 G C 1.622 176.208 174.900 -0.523 0.000 1.297 602 G CA 1.272 45.863 45.100 -0.849 0.000 0.807 602 G HN 0.490 nan 8.290 nan 0.000 0.608 603 L N 0.595 121.521 121.223 -0.494 0.000 2.085 603 L HA -0.158 4.182 4.340 -0.000 0.000 0.218 603 L C 2.730 179.604 176.870 0.006 0.000 1.080 603 L CA 1.653 56.445 54.840 -0.080 0.000 0.776 603 L CB -0.592 41.489 42.059 0.036 0.000 0.891 603 L HN 0.322 nan 8.230 nan 0.000 0.437 604 L N -2.040 119.148 121.223 -0.058 0.000 1.961 604 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 604 L C 2.567 179.417 176.870 -0.033 0.000 1.075 604 L CA 1.464 56.307 54.840 0.007 0.000 0.749 604 L CB -0.517 41.521 42.059 -0.035 0.000 0.890 604 L HN 0.278 nan 8.230 nan 0.000 0.433 605 M N -0.299 119.196 119.600 -0.176 0.000 2.146 605 M HA -0.263 4.217 4.480 -0.000 0.000 0.256 605 M C 2.429 178.678 176.300 -0.085 0.000 1.075 605 M CA 2.139 57.329 55.300 -0.183 0.000 1.082 605 M CB -1.586 30.770 32.600 -0.407 0.000 1.355 605 M HN 0.369 nan 8.290 nan 0.000 0.402 606 A N 0.005 122.795 122.820 -0.051 0.000 1.858 606 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 606 A C 2.474 180.079 177.584 0.035 0.000 1.190 606 A CA 1.958 54.019 52.037 0.041 0.000 0.617 606 A CB -1.000 18.090 19.000 0.150 0.000 0.827 606 A HN 0.296 nan 8.150 nan 0.000 0.443 607 V N -0.225 119.658 119.914 -0.052 0.000 2.261 607 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 607 V C 2.751 178.718 176.094 -0.213 0.000 1.047 607 V CA 2.561 64.669 62.300 -0.319 0.000 1.015 607 V CB -1.462 30.095 31.823 -0.444 0.000 0.642 607 V HN 0.604 nan 8.190 nan 0.000 0.446 608 T N 0.437 114.941 114.554 -0.083 0.000 2.665 608 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 608 T C 1.915 176.574 174.700 -0.068 0.000 1.035 608 T CA 1.755 63.823 62.100 -0.053 0.000 1.151 608 T CB -0.832 68.052 68.868 0.026 0.000 0.862 608 T HN 0.652 nan 8.240 nan 0.000 0.438 609 G N 1.263 110.035 108.800 -0.047 0.000 2.469 609 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.219 609 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.219 609 G C 1.635 176.527 174.900 -0.014 0.000 1.150 609 G CA 0.843 45.922 45.100 -0.036 0.000 0.763 609 G HN 0.634 nan 8.290 nan 0.000 0.561 610 A N -0.503 122.329 122.820 0.020 0.000 2.277 610 A HA 0.339 4.659 4.320 -0.000 0.000 0.208 610 A C 2.018 179.677 177.584 0.125 0.000 1.202 610 A CA 0.785 52.884 52.037 0.105 0.000 0.762 610 A CB -0.225 18.911 19.000 0.227 0.000 0.770 610 A HN 0.408 nan 8.150 nan 0.000 0.487 611 L N -2.024 119.214 121.223 0.025 0.000 2.803 611 L HA 0.265 4.605 4.340 -0.000 0.000 0.246 611 L C 1.890 178.754 176.870 -0.009 0.000 1.100 611 L CA 0.121 54.965 54.840 0.007 0.000 0.919 611 L CB 0.114 42.114 42.059 -0.098 0.000 1.285 611 L HN 0.339 nan 8.230 nan 0.000 0.522 612 I N -0.769 119.787 120.570 -0.022 0.000 2.731 612 I HA 0.068 4.238 4.170 -0.000 0.000 0.235 612 I C 0.030 176.141 176.117 -0.011 0.000 1.064 612 I CA 0.701 61.984 61.300 -0.028 0.000 1.439 612 I CB 0.377 38.351 38.000 -0.044 0.000 1.255 612 I HN 0.063 nan 8.210 nan 0.000 0.446 613 D N -0.528 119.867 120.400 -0.008 0.000 2.931 613 D HA 0.077 4.717 4.640 -0.000 0.000 0.215 613 D C 0.302 176.600 176.300 -0.002 0.000 1.297 613 D CA -0.374 53.627 54.000 0.001 0.000 0.892 613 D CB 1.524 42.323 40.800 -0.001 0.000 1.642 613 D HN 0.213 nan 8.370 nan 0.000 0.560 614 E N 1.696 121.904 120.200 0.013 0.000 2.169 614 E HA -0.300 4.050 4.350 -0.000 0.000 0.202 614 E C 1.342 177.919 176.600 -0.039 0.000 1.016 614 E CA 2.111 58.515 56.400 0.006 0.000 0.817 614 E CB 0.173 29.915 29.700 0.070 0.000 0.736 614 E HN 0.505 nan 8.360 nan 0.000 0.462 615 S N 0.751 116.446 115.700 -0.008 0.000 2.365 615 S HA -0.238 4.232 4.470 -0.000 0.000 0.225 615 S C 2.064 176.642 174.600 -0.037 0.000 1.039 615 S CA 1.617 59.813 58.200 -0.007 0.000 1.033 615 S CB -0.923 62.285 63.200 0.013 0.000 0.887 615 S HN 0.384 nan 8.310 nan 0.000 0.447 616 L N 1.234 122.435 121.223 -0.036 0.000 2.081 616 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 616 L C 2.700 179.526 176.870 -0.073 0.000 1.080 616 L CA 1.154 55.970 54.840 -0.039 0.000 0.754 616 L CB -1.098 40.941 42.059 -0.033 0.000 0.893 616 L HN 0.251 nan 8.230 nan 0.000 0.433 617 V N -0.114 119.708 119.914 -0.153 0.000 2.295 617 V HA -0.254 3.865 4.120 -0.000 0.000 0.246 617 V C 2.445 178.345 176.094 -0.325 0.000 1.049 617 V CA 1.848 63.975 62.300 -0.288 0.000 1.024 617 V CB -0.562 30.916 31.823 -0.575 0.000 0.648 617 V HN 0.463 nan 8.190 nan 0.000 0.447 618 E N 0.474 120.479 120.200 -0.326 0.000 2.048 618 E HA -0.306 4.044 4.350 -0.000 0.000 0.202 618 E C 2.263 178.880 176.600 0.028 0.000 1.021 618 E CA 1.726 58.065 56.400 -0.102 0.000 0.825 618 E CB -0.314 29.402 29.700 0.028 0.000 0.756 618 E HN 0.587 nan 8.360 nan 0.000 0.454 619 K N 0.513 120.934 120.400 0.035 0.000 2.152 619 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 619 K C 2.162 178.888 176.600 0.210 0.000 1.048 619 K CA 1.074 57.416 56.287 0.092 0.000 0.933 619 K CB -0.185 32.337 32.500 0.037 0.000 0.721 619 K HN 0.098 nan 8.250 nan 0.000 0.447 620 A N 2.091 125.017 122.820 0.176 0.000 1.835 620 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 620 A C 1.960 179.871 177.584 0.545 0.000 1.199 620 A CA 1.669 53.915 52.037 0.347 0.000 0.615 620 A CB -0.878 18.214 19.000 0.152 0.000 0.838 620 A HN 0.398 nan 8.150 nan 0.000 0.444 621 N N -0.567 118.342 118.700 0.349 0.000 2.513 621 N HA -0.141 4.599 4.740 -0.000 0.000 0.187 621 N C 1.343 176.952 175.510 0.164 0.000 1.056 621 N CA 1.044 54.289 53.050 0.325 0.000 0.907 621 N CB -0.095 38.511 38.487 0.198 0.000 0.954 621 N HN 0.510 nan 8.380 nan 0.000 0.445 622 K N 0.005 120.555 120.400 0.250 0.000 2.387 622 K HA -0.009 4.311 4.320 -0.000 0.000 0.198 622 K C 0.210 176.969 176.600 0.265 0.000 1.022 622 K CA 0.003 56.397 56.287 0.178 0.000 1.128 622 K CB 0.158 32.749 32.500 0.153 0.000 0.853 622 K HN 0.222 nan 8.250 nan 0.000 0.523 623 F N -0.489 119.609 119.950 0.247 0.000 2.791 623 F HA 0.354 4.881 4.527 -0.000 0.000 0.316 623 F C -0.689 175.333 175.800 0.370 0.000 1.134 623 F CA -1.009 57.141 58.000 0.250 0.000 1.222 623 F CB 0.145 39.272 39.000 0.211 0.000 1.034 623 F HN -0.091 nan 8.300 nan 0.000 0.516 624 W N 0.000 121.033 121.300 -0.446 0.000 2.388 624 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 624 W CA 0.000 57.095 57.345 -0.417 0.000 1.226 624 W CB 0.000 29.021 29.460 -0.732 0.000 1.126 624 W HN 0.000 nan 8.180 nan 0.000 0.535